5-bromanyl-1-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenylimino-indol-2-one

Systemtic Name: 5-bromanyl-1-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenylimino-indol-2-one Openeye Name: 5-bromo-1-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenylimino-indolin-2-one CAS Name: 5-bromo-1-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-phenylimino-2-indolone IUPAC Name: 5-bromo-1-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyliminoindol-2-one Traditional Name: 5-bromo-1-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenylimino-oxindole Formula: C21H23BrN3O+ MolecularWeight: 413.33082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=NC4=CC=CC=C4)C2=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=NC4=CC=CC=C4)C2=O

InChI

InChI=1S/C21H22BrN3O/c1-15-6-5-11-24(13-15)14-25-19-10-9-16(22)12-18(19)20(21(25)26)23-17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3/p+1/t15-/m0/s1