2-chloranyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-benzamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN4O3/c1-15-3-2-4-16(13-15)24-11-9-23(10-12-24)8-7-22-20(26)18-6-5-17(25(27)28)14-19(18)21/h2-6,13-14H,7-12H2,1H3,(H,22,26)/p+1