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

Systemtic Name: N-[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-3-methyl-4-nitro-benzamide Formula: C25H25Cl2N4O3+ MolecularWeight: 500.397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24Cl2N4O3/c1-17-14-18(6-8-23(17)31(33)34)25(32)28-20-7-9-24(22(27)15-20)30-12-10-29(11-13-30)16-19-4-2-3-5-21(19)26/h2-9,14-15H,10-13,16H2,1H3,(H,28,32)/p+1