[(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-(4-azaniumyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-(4-ammonio-1-piperidinyl)-2-oxo-1-phenylethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxo-1-phenylethyl]-butyl-methylazanium Traditional Name: [(1S)-2-(4-ammoniopiperidino)-2-keto-1-phenyl-ethyl]-butyl-methyl-ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C1=CC=CC=C1)C(=O)N2CCC(CC2)[NH3+]

Isomeric SMILES

CCCC[NH+](C)[C@@H](C1=CC=CC=C1)C(=O)N2CCC(CC2)[NH3+]

InChI

InChI=1S/C18H29N3O/c1-3-4-12-20(2)17(15-8-6-5-7-9-15)18(22)21-13-10-16(19)11-14-21/h5-9,16-17H,3-4,10-14,19H2,1-2H3/p+2/t17-/m0/s1