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

Systemtic Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3/c1-14-12-15(6-7-18(14)23(25)26)19(24)22-10-8-21(9-11-22)13-16-4-2-3-5-17(16)20/h2-7,12H,8-11,13H2,1H3/p+1