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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-benzoyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperidin-1-ium-1-yl)acetamide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2/c30-25(27-23-10-12-24(13-11-23)29-16-6-1-2-7-17-29)20-28-18-14-22(15-19-28)26(31)21-8-4-3-5-9-21/h3-5,8-13,22H,1-2,6-7,14-20H2,(H,27,30)/p+1