[(1S)-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: [(1S)-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-2-oxo-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-1-phenyl-ethyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(C1=CC=CC=C1)[NH3+])[NH+]2CCCCC2

Isomeric SMILES

CC(C)(CNC(=O)[C@H](C1=CC=CC=C1)[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C17H27N3O/c1-17(2,20-11-7-4-8-12-20)13-19-16(21)15(18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13,18H2,1-2H3,(H,19,21)/p+2/t15-/m0/s1