3-methyl-4-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitro-benzamide Formula: C25H27N4O3+ MolecularWeight: 431.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O3/c1-19-17-21(7-12-24(19)29(31)32)25(30)26-22-8-10-23(11-9-22)28-15-13-27(14-16-28)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,26,30)/p+1