(3R)-1-(4-bromanyl-2-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(4-bromanyl-2-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(4-bromo-2-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(4-bromo-2-methylphenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(4-bromo-2-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-1-(4-bromo-2-methyl-phenyl)-5-keto-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidine-3-carboxamide Formula: C23H28BrN4O2+ MolecularWeight: 472.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C[C@@H](CC2=O)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27BrN4O2/c1-16-13-18(24)3-8-21(16)28-15-17(14-22(28)29)23(30)25-19-4-6-20(7-5-19)27-11-9-26(2)10-12-27/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,25,30)/p+1/t17-/m1/s1