ethyl 5-methoxy-1,2-dimethyl-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-1,2-dimethyl-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]indole-3-carboxylate Openeye Name: ethyl 5-methoxy-1,2-dimethyl-4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-3-carboxylate CAS Name: 5-methoxy-1,2-dimethyl-4-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1,2-dimethyl-4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-3-carboxylate Traditional Name: 5-methoxy-1,2-dimethyl-4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]indole-3-carboxylic acid ethyl ester Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCC4=CC=CC=C4C3)C)C

InChI

InChI=1S/C25H29N3O4/c1-5-32-25(30)22-16(2)27(3)19-10-11-20(31-4)24(23(19)22)26-21(29)15-28-13-12-17-8-6-7-9-18(17)14-28/h6-11H,5,12-15H2,1-4H3,(H,26,29)/p+1