methyl 5-chloranyl-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-chloro-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 5-chloro-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22ClN3O3/c1-29-22(28)21-20(17-12-16(23)6-7-18(17)24-21)25-19(27)9-11-26-10-8-14-4-2-3-5-15(14)13-26/h2-7,12,24H,8-11,13H2,1H3,(H,25,27)/p+1