[3,4-bis(oxidanyl)phenyl]methyl-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2R)-3-methyl-2-(1-pyrrolidinyl)butyl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]azanium Traditional Name: [(2R)-3-methyl-2-pyrrolidino-butyl]-protocatechuyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12(2)14(18-7-3-4-8-18)11-17-10-13-5-6-15(19)16(20)9-13/h5-6,9,12,14,17,19-20H,3-4,7-8,10-11H2,1-2H3/p+1/t14-/m0/s1