3-[4-(3-oxidanylidene-3-phenylazanyl-propyl)-1,4-diazepan-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-(3-oxidanylidene-3-phenylazanyl-propyl)-1,4-diazepan-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-(3-anilino-3-oxo-propyl)-1,4-diazepan-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-(3-anilino-3-oxopropyl)-1,4-diazepan-1-ium-1-yl]-N-phenylpropanamide IUPAC Name: 3-[4-(3-anilino-3-oxopropyl)-1,4-diazepan-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-(3-anilino-3-keto-propyl)-1,4-diazepan-1-ium-1-yl]-N-phenyl-propionamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)CCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c28-22(24-20-8-3-1-4-9-20)12-16-26-14-7-15-27(19-18-26)17-13-23(29)25-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,24,28)(H,25,29)/p+1