(3R)-1-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)[NH+]1CCCC(C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)[NH+]1CCC[C@H](C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O2/c1-14(2)12-20-18(23)15(3)22-11-7-8-16(13-22)19(24)21-17-9-5-4-6-10-17/h4-6,9-10,14-16H,7-8,11-13H2,1-3H3,(H,20,23)(H,21,24)/p+1/t15-,16+/m0/s1