ethyl 5,6-dimethoxy-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5,6-dimethoxy-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dimethoxy-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H30N3O5+ MolecularWeight: 452.5228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H29N3O5/c1-4-33-25(30)24-23(18-13-20(31-2)21(32-3)14-19(18)26-24)27-22(29)10-12-28-11-9-16-7-5-6-8-17(16)15-28/h5-8,13-14,26H,4,9-12,15H2,1-3H3,(H,27,29)/p+1