1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-ethyl-indole-2,3-dione

Systemtic Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-ethyl-indole-2,3-dione Openeye Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-ethyl-indoline-2,3-dione CAS Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-ethylindole-2,3-dione IUPAC Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-ethylindole-2,3-dione Traditional Name: 1-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-ethyl-isatin Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC4=CC(=C(C=C4C3)OCC)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC4=CC(=C(C=C4C3)OCC)OCC

InChI

InChI=1S/C24H28N2O4/c1-4-16-7-8-20-19(11-16)23(27)24(28)26(20)15-25-10-9-17-12-21(29-5-2)22(30-6-3)13-18(17)14-25/h7-8,11-13H,4-6,9-10,14-15H2,1-3H3/p+1