N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-methyl-3-nitro-benzamide Formula: C25H26ClN4O3+ MolecularWeight: 465.95194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H25ClN4O3/c1-18-6-7-19(16-24(18)30(32)33)25(31)27-21-8-10-22(11-9-21)29-14-12-28(13-15-29)17-20-4-2-3-5-23(20)26/h2-11,16H,12-15,17H2,1H3,(H,27,31)/p+1