N-[4-(azepan-1-yl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H34N4O2/c1-31-24-8-6-7-23(19-24)29-17-15-27(16-18-29)20-25(30)26-21-9-11-22(12-10-21)28-13-4-2-3-5-14-28/h6-12,19H,2-5,13-18,20H2,1H3,(H,26,30)/p+1