[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CC1=CC(=C(C=C1)OC)C[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CC1=CC(=C(C=C1)OC)C[NH+]2CCCC2

InChI

InChI=1S/C16H25N3O2/c1-12(16(17)20)18-10-13-5-6-15(21-2)14(9-13)11-19-7-3-4-8-19/h5-6,9,12,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,20)/p+2/t12-/m0/s1