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

Systemtic Name: (3R)-1-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c1-16(20(25)22-18-10-4-2-5-11-18)24-14-8-9-17(15-24)21(26)23-19-12-6-3-7-13-19/h3,6-7,12-13,16-18H,2,4-5,8-11,14-15H2,1H3,(H,22,25)(H,23,26)/p+1/t16-,17+/m0/s1