3-(3-bromanyl-4-methyl-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one

Systemtic Name: 3-(3-bromanyl-4-methyl-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one Openeye Name: 3-(3-bromo-4-methyl-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indolin-2-one CAS Name: 3-(3-bromo-4-methylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-indolone IUPAC Name: 3-(3-bromo-4-methylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one Traditional Name: 3-(3-bromo-4-methyl-phenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxindole Formula: C25H23BrN3O+ MolecularWeight: 461.37362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC5=CC=CC=C5C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC5=CC=CC=C5C4)Br

InChI

InChI=1S/C25H22BrN3O/c1-17-10-11-20(14-22(17)26)27-24-21-8-4-5-9-23(21)29(25(24)30)16-28-13-12-18-6-2-3-7-19(18)15-28/h2-11,14H,12-13,15-16H2,1H3/p+1