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

Systemtic Name: [(2S)-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[2-methyl-2-(1-pyrrolidin-1-iumyl)propyl]amino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[(2-methyl-2-pyrrolidin-1-ium-1-ylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]ethyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CC1=CC=CC=C1)[NH3+])[NH+]2CCCC2

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CC1=CC=CC=C1)[NH3+])[NH+]2CCCC2

InChI

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