N-(3-chloranyl-4-methyl-phenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-3-nitro-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-nitro-4-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH2+]CC3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH2+]CC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O3/c1-12-2-4-14(11-15(12)19)21-18(24)13-3-5-16(17(10-13)23(25)26)22-8-6-20-7-9-22/h2-5,10-11,20H,6-9H2,1H3,(H,21,24)/p+1