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

Systemtic Name: methyl 5-methyl-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C(=O)OC

InChI

InChI=1S/C22H23N3O3/c1-14-7-8-18-17(11-14)20(21(23-18)22(27)28-2)24-19(26)13-25-10-9-15-5-3-4-6-16(15)12-25/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,24,26)/p+1