3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c25-20(22-19-8-4-3-5-9-19)12-17-23-15-10-18(11-16-23)21(26)24-13-6-1-2-7-14-24/h3-5,8-9,18H,1-2,6-7,10-17H2,(H,22,25)/p+1