1-[(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1S)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O2/c1-16(21(27)25-20-9-5-8-19(23)14-20)26-12-10-18(11-13-26)22(28)24-15-17-6-3-2-4-7-17/h2-9,14,16,18H,10-13,15H2,1H3,(H,24,28)(H,25,27)/p+1/t16-/m0/s1