(3-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2S)-3-methyl-2-(1-pyrrolidinyl)butyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2S)-3-methyl-2-pyrrolidin-1-ylbutyl]azanium Traditional Name: [(2S)-3-methyl-2-pyrrolidino-butyl]-vanillyl-ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH2+]CC1=CC(=C(C=C1)O)OC)N2CCCC2

Isomeric SMILES

CC(C)[C@@H](C[NH2+]CC1=CC(=C(C=C1)O)OC)N2CCCC2

InChI

InChI=1S/C17H28N2O2/c1-13(2)15(19-8-4-5-9-19)12-18-11-14-6-7-16(20)17(10-14)21-3/h6-7,10,13,15,18,20H,4-5,8-9,11-12H2,1-3H3/p+1/t15-/m1/s1