methyl (1S,3R)-3-methyl-1-phenyl-1,2,4,9-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: methyl (1S,3R)-3-methyl-1-phenyl-1,2,4,9-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1S,3R)-3-methyl-1-phenyl-1,2,4,9-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3R)-3-methyl-1-phenyl-1,2,4,9-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3R)-3-methyl-1-phenyl-1,2,4,9-tetrahydropyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3R)-3-methyl-1-phenyl-1,2,4,9-tetrahydro-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]1)C3=CC=CC=C3)NC4=CC=CC=C24)C(=O)OC

Isomeric SMILES

C[C@@]1(CC2=C([C@@H]([NH2+]1)C3=CC=CC=C3)NC4=CC=CC=C24)C(=O)OC

InChI

InChI=1S/C20H20N2O2/c1-20(19(23)24-2)12-15-14-10-6-7-11-16(14)21-18(15)17(22-20)13-8-4-3-5-9-13/h3-11,17,21-22H,12H2,1-2H3/p+1/t17-,20+/m0/s1