ethyl 7-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate

Systemtic Name: ethyl 7-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate Openeye Name: ethyl 7-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate CAS Name: 7-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate Traditional Name: 7-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-5H-[1,3]dioxol[4,5-f]indole-6-carboxylic acid ethyl ester Formula: C23H24N3O5+ MolecularWeight: 422.45376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H23N3O5/c1-2-29-23(28)22-21(16-9-18-19(31-13-30-18)10-17(16)24-22)25-20(27)12-26-8-7-14-5-3-4-6-15(14)11-26/h3-6,9-10,24H,2,7-8,11-13H2,1H3,(H,25,27)/p+1