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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-benzoyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c30-24(26-22-10-12-23(13-11-22)28-14-6-1-2-7-15-28)20-27-16-18-29(19-17-27)25(31)21-8-4-3-5-9-21/h3-5,8-13H,1-2,6-7,14-20H2,(H,26,30)/p+1