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

Systemtic Name: methyl 1,4-dimethyl-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]indole-2-carboxylate Openeye Name: methyl 1,4-dimethyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-2-carboxylate CAS Name: 1,4-dimethyl-3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1,4-dimethyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-2-carboxylate Traditional Name: 1,4-dimethyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-2-carboxylic acid methyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C(=O)OC)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C(=O)OC)C

InChI

InChI=1S/C23H25N3O3/c1-15-7-6-10-18-20(15)21(22(25(18)2)23(28)29-3)24-19(27)14-26-12-11-16-8-4-5-9-17(16)13-26/h4-10H,11-14H2,1-3H3,(H,24,27)/p+1