methyl 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O3/c1-28-22(27)21-20(17-8-4-5-9-18(17)23-21)24-19(26)11-13-25-12-10-15-6-2-3-7-16(15)14-25/h2-9,23H,10-14H2,1H3,(H,24,26)/p+1