4-bromanyl-5-methyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Systemtic Name: 4-bromanyl-5-methyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 4-bromo-5-methyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 4-bromo-5-methyl-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]indole-2,3-dione IUPAC Name: 4-bromo-5-methyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 4-bromo-5-methyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]isatin Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)Br

InChI

InChI=1S/C20H20BrN3O2/c1-14-7-8-16-17(18(14)21)19(25)20(26)24(16)13-22-9-11-23(12-10-22)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3/p+1