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

Systemtic Name: ethyl 5-methoxy-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-3-30-23(28)22-21(18-12-17(29-2)8-9-19(18)24-22)25-20(27)14-26-11-10-15-6-4-5-7-16(15)13-26/h4-9,12,24H,3,10-11,13-14H2,1-2H3,(H,25,27)/p+1