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

Systemtic Name: 1-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-isopropylanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-isopropylanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-17(2)20-10-6-7-11-21(20)25-22(27)16-26-14-12-18(13-15-26)23(28)24-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)/p+1