(1R,3S)-1-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: (1R,3S)-1-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1R,3S)-1-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3S)-1-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1R,3S)-1-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3S)-1-tert-butyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=C(CC([NH2+]1)C(=O)[O-])C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)[C@@H]1C2=C(C[C@H]([NH2+]1)C(=O)[O-])C3=CC=CC=C3N2

InChI

InChI=1S/C16H20N2O2/c1-16(2,3)14-13-10(8-12(18-14)15(19)20)9-6-4-5-7-11(9)17-13/h4-7,12,14,17-18H,8H2,1-3H3,(H,19,20)/t12-,14-/m0/s1