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

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(methylamino)-3-nitro-phenyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(methylamino)-3-nitrophenyl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-15-5-3-4-6-17(15)14-22-9-11-23(12-10-22)20(25)16-7-8-18(21-2)19(13-16)24(26)27/h3-8,13,21H,9-12,14H2,1-2H3/p+1