(3-methyl-4-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-methyl-4-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (3-methyl-4-nitrophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-methyl-4-nitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-methyl-4-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c1-10-9-11(3-4-12(10)16(18)19)13(17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3/p+1