ethyl 4-[2-[2-azanyl-4,4-dimethyl-2-(phenylmethyl)piperazin-4-ium-1-yl]ethanoyl-methyl-amino]benzoate

Systemtic Name: ethyl 4-[2-[2-azanyl-4,4-dimethyl-2-(phenylmethyl)piperazin-4-ium-1-yl]ethanoyl-methyl-amino]benzoate Openeye Name: ethyl 4-[[2-(2-amino-2-benzyl-4,4-dimethyl-piperazin-4-ium-1-yl)acetyl]-methyl-amino]benzoate CAS Name: 4-[[2-[2-amino-4,4-dimethyl-2-(phenylmethyl)-1-piperazin-4-iumyl]-1-oxoethyl]-methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-amino-2-benzyl-4,4-dimethylpiperazin-4-ium-1-yl)acetyl]-methylamino]benzoate Traditional Name: 4-[[2-(2-amino-2-benzyl-4,4-dimethyl-piperazin-4-ium-1-yl)acetyl]-methyl-amino]benzoic acid ethyl ester Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C)C(=O)CN2CC[N+](CC2(CC3=CC=CC=C3)N)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C)C(=O)CN2CC[N+](CC2(CC3=CC=CC=C3)N)(C)C

InChI

InChI=1S/C25H35N4O3/c1-5-32-24(31)21-11-13-22(14-12-21)27(2)23(30)18-28-15-16-29(3,4)19-25(28,26)17-20-9-7-6-8-10-20/h6-14H,5,15-19,26H2,1-4H3/q+1