(4-methylphenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-(4-nitrophenyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methylphenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-(p-tolyl)methanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-14-2-4-15(5-3-14)18(22)20-12-10-19(11-13-20)16-6-8-17(9-7-16)21(23)24/h2-9H,10-13H2,1H3/p+1