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

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-5-nitro-phenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-chloro-5-nitrophenyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-5-nitrophenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-5-nitro-phenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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