(3S)-1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-(4-pyrrolidinoanilino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c29-23(25-21-10-12-22(13-11-21)28-15-4-5-16-28)18-27-14-6-7-19(17-27)24(30)26-20-8-2-1-3-9-20/h1-3,8-13,19H,4-7,14-18H2,(H,25,29)(H,26,30)/p+1/t19-/m0/s1