[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone chloride

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone chloride Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone chloride CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-(3-nitrophenyl)methanone chloride IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone chloride Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone chloride Formula: C18H19Cl2N3O3 MolecularWeight: 396.26776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C18H18ClN3O3.ClH/c1-13-5-6-15(19)12-17(13)20-7-9-21(10-8-20)18(23)14-3-2-4-16(11-14)22(24)25;/h2-6,11-12H,7-10H2,1H3;1H