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

Systemtic Name: 1-[2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(N-isopropylanilino)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(N-isopropylanilino)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C23H30N4O2/c1-17(2)27(20-6-4-3-5-7-20)21-10-8-19(9-11-21)25-22(28)16-26-14-12-18(13-15-26)23(24)29/h3-11,17-18H,12-16H2,1-2H3,(H2,24,29)(H,25,28)/p+1