3-(3,4-dimethylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one

Systemtic Name: 3-(3,4-dimethylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one Openeye Name: 3-(3,4-dimethylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indolin-2-one CAS Name: 3-(3,4-dimethylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-indolone IUPAC Name: 3-(3,4-dimethylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)indol-2-one Traditional Name: 3-(3,4-dimethylphenyl)imino-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxindole Formula: C26H26N3O+ MolecularWeight: 396.50414

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O/c1-18-11-12-22(15-19(18)2)27-25-23-9-5-6-10-24(23)29(26(25)30)17-28-14-13-20-7-3-4-8-21(20)16-28/h3-12,15H,13-14,16-17H2,1-2H3/p+1