octadecan-4-yl 4-[4-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]butanoyl]-3-methoxy-1-(2-methoxyphenyl)carbonyl-piperazine-2-carboxylate

Systemtic Name: octadecan-4-yl 4-[4-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]butanoyl]-3-methoxy-1-(2-methoxyphenyl)carbonyl-piperazine-2-carboxylate Openeye Name: 1-propylpentadecyl 4-[4-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]butanoyl]-3-methoxy-1-(2-methoxybenzoyl)piperazine-2-carboxylate CAS Name: 4-[4-[[(1-ethyl-2-pyridin-1-iumyl)methylamino]-oxomethoxy]-1-oxobutyl]-3-methoxy-1-[(2-methoxyphenyl)-oxomethyl]-2-piperazinecarboxylic acid octadecan-4-yl ester IUPAC Name: octadecan-4-yl 4-[4-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]butanoyl]-3-methoxy-1-(2-methoxybenzoyl)piperazine-2-carboxylate Traditional Name: 4-[4-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxy]butanoyl]-3-methoxy-1-o-anisoyl-piperazine-2-carboxylic acid 1-propylpentadecyl ester Formula: C45H71N4O8+ MolecularWeight: 796.06724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC)OC(=O)C1C(N(CCN1C(=O)C2=CC=CC=C2OC)C(=O)CCCOC(=O)NCC3=CC=CC=[N+]3CC)OC

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC)OC(=O)C1C(N(CCN1C(=O)C2=CC=CC=C2OC)C(=O)CCCOC(=O)NCC3=CC=CC=[N+]3CC)OC

InChI

InChI=1S/C45H70N4O8/c1-6-9-10-11-12-13-14-15-16-17-18-19-27-37(25-7-2)57-44(52)41-43(55-5)48(32-33-49(41)42(51)38-28-20-21-29-39(38)54-4)40(50)30-24-34-56-45(53)46-35-36-26-22-23-31-47(36)8-3/h20-23,26,28-29,31,37,41,43H,6-19,24-25,27,30,32-35H2,1-5H3/p+1