methyl 3-[[(2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[(2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C24H27N3O5/c1-14(27-10-9-15-11-19(30-2)20(31-3)12-16(15)13-27)23(28)26-21-17-7-5-6-8-18(17)25-22(21)24(29)32-4/h5-8,11-12,14,25H,9-10,13H2,1-4H3,(H,26,28)/p+1/t14-/m0/s1