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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c30-25(21-28-18-16-27(17-19-28)20-22-8-4-3-5-9-22)26-23-10-12-24(13-11-23)29-14-6-1-2-7-15-29/h3-5,8-13H,1-2,6-7,14-21H2,(H,26,30)/p+1