2-[[(1R)-2-[2-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(1R)-2-[2-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(1R)-2-[2-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(1R)-2-[2-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(1R)-2-[2-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(1R)-2-[2-keto-2-(8-methyl-1,3,4,5-tetrahydropyrid[4,3-b]indol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C32H31N4O3+ MolecularWeight: 519.61354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C[NH+]4CCC5=CC=CC=C5C4CN6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C[NH+]4CCC5=CC=CC=C5[C@@H]4CN6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C32H30N4O3/c1-20-10-11-27-25(16-20)26-17-35(15-13-28(26)33-27)30(37)19-34-14-12-21-6-2-3-7-22(21)29(34)18-36-31(38)23-8-4-5-9-24(23)32(36)39/h2-11,16,29,33H,12-15,17-19H2,1H3/p+1/t29-/m0/s1