3-[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-isoquinolin-2-ium-3-yl]-2-methyl-propanamide

Systemtic Name: 3-[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-isoquinolin-2-ium-3-yl]-2-methyl-propanamide Openeye Name: 3-[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-isoquinolin-2-ium-3-yl]-2-methyl-propanamide CAS Name: 3-[2-(2-benzofuranylmethylamino)-3-(1H-indol-3-yl)-2-methyl-3-isoquinolin-2-iumyl]-2-methylpropanamide IUPAC Name: 3-[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methylisoquinolin-2-ium-3-yl]-2-methylpropanamide Traditional Name: 3-[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-isoquinolin-2-ium-3-yl]-2-methyl-propionamide Formula: C31H31N4O2+ MolecularWeight: 491.60344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(C=C2C=CC=CC2=C[N+]1(C)NCC3=CC4=CC=CC=C4O3)C5=CNC6=CC=CC=C65)C(=O)N

Isomeric SMILES

CC(CC1(C=C2C=CC=CC2=C[N+]1(C)NCC3=CC4=CC=CC=C4O3)C5=CNC6=CC=CC=C65)C(=O)N

InChI

InChI=1S/C31H30N4O2/c1-21(30(32)36)16-31(27-19-33-28-13-7-6-12-26(27)28)17-23-10-3-4-11-24(23)20-35(31,2)34-18-25-15-22-9-5-8-14-29(22)37-25/h3-15,17,19-21,33-34H,16,18H2,1-2H3,(H-,32,36)/p+1