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

Systemtic Name: 1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-3-18(2)19-9-11-22(12-10-19)25-23(28)17-27-15-13-20(14-16-27)24(29)26-21-7-5-4-6-8-21/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,28)(H,26,29)/p+1/t18-/m0/s1