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

Systemtic Name: (1R,3R)-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1R,3R)-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1R,3R)-1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-propyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=C(CC([NH2+]1)C(=O)[O-])C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2/c1-2-5-12-14-10(8-13(16-12)15(18)19)9-6-3-4-7-11(9)17-14/h3-4,6-7,12-13,16-17H,2,5,8H2,1H3,(H,18,19)/t12-,13-/m1/s1