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

Systemtic Name: 3-(3-bromanyl-4-methyl-phenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: 3-(3-bromo-4-methyl-phenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: 3-(3-bromo-4-methylphenyl)imino-1-(1-pyrrolidin-1-iumylmethyl)-2-indolone IUPAC Name: 3-(3-bromo-4-methylphenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: 3-(3-bromo-4-methyl-phenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)oxindole Formula: C20H21BrN3O+ MolecularWeight: 399.30424

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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+]4CCCC4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCC4)Br

InChI

InChI=1S/C20H20BrN3O/c1-14-8-9-15(12-17(14)21)22-19-16-6-2-3-7-18(16)24(20(19)25)13-23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13H2,1H3/p+1