[(2S)-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]ethyl]ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CC1=CC=CC=C1)[NH3+])[NH+]2CCCCC2

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CC1=CC=CC=C1)[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C18H29N3O/c1-18(2,21-11-7-4-8-12-21)14-20-17(22)16(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14,19H2,1-2H3,(H,20,22)/p+2/t16-/m0/s1