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

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-protocatechuyl-ammonium Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C17H21NO2/c1-13(7-8-14-5-3-2-4-6-14)18-12-15-9-10-16(19)17(20)11-15/h2-6,9-11,13,18-20H,7-8,12H2,1H3/p+1/t13-/m1/s1