[(1S)-2-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: [(1S)-2-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-[[1-(4-methyl-1-piperidin-1-iumyl)cyclohexyl]methylamino]-2-oxo-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-2-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-phenyl-ethyl]ammonium Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=O)C(C3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=O)[C@H](C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C21H33N3O/c1-17-10-14-24(15-11-17)21(12-6-3-7-13-21)16-23-20(25)19(22)18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16,22H2,1H3,(H,23,25)/p+2/t19-/m0/s1