5-bromanyl-3-(4-methylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: 5-bromanyl-3-(4-methylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: 5-bromo-1-(piperidin-1-ium-1-ylmethyl)-3-(p-tolylimino)indolin-2-one CAS Name: 5-bromo-3-(4-methylphenyl)imino-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: 5-bromo-3-(4-methylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: 5-bromo-1-(piperidin-1-ium-1-ylmethyl)-3-(p-tolylimino)oxindole Formula: C21H23BrN3O+ MolecularWeight: 413.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C21H22BrN3O/c1-15-5-8-17(9-6-15)23-20-18-13-16(22)7-10-19(18)25(21(20)26)14-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3/p+1