1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 3-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 3-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C24H39N3O2+2 MolecularWeight: 401.58536

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC=CC=C3OCC=C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C24H37N3O2/c1-3-19-29-23-8-6-5-7-22(23)20-26-13-11-21(12-14-26)9-10-24(28)27-17-15-25(4-2)16-18-27/h3,5-8,21H,1,4,9-20H2,2H3/p+2