3-(4-bromophenyl)imino-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(4-bromophenyl)imino-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 3-(4-bromophenyl)imino-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indolin-2-one CAS Name: 3-(4-bromophenyl)imino-1-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 3-(4-bromophenyl)imino-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indol-2-one Traditional Name: 3-(4-bromophenyl)imino-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]oxindole Formula: C21H23BrN3O+ MolecularWeight: 413.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)Br)C2=O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)Br)C2=O

InChI

InChI=1S/C21H22BrN3O/c1-15-5-4-12-24(13-15)14-25-19-7-3-2-6-18(19)20(21(25)26)23-17-10-8-16(22)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3/p+1/t15-/m1/s1