N-[4-(azepan-1-yl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-p-anisylpiperazin-1-ium-1-yl)acetamide Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H36N4O2/c1-32-25-12-6-22(7-13-25)20-28-16-18-29(19-17-28)21-26(31)27-23-8-10-24(11-9-23)30-14-4-2-3-5-15-30/h6-13H,2-5,14-21H2,1H3,(H,27,31)/p+1