(3S)-1-[2-oxidanylidene-2-[(1-phenylcyclobutyl)methylamino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[(1-phenylcyclobutyl)methylamino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[(1-phenylcyclobutyl)methylamino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2(CCC2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2(CCC2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c29-23(26-19-25(14-8-15-25)21-10-3-1-4-11-21)18-28-16-7-9-20(17-28)24(30)27-22-12-5-2-6-13-22/h1-6,10-13,20H,7-9,14-19H2,(H,26,29)(H,27,30)/p+1/t20-/m0/s1