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

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(methylamino)-3-nitro-phenyl]-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(methylamino)-3-nitrophenyl]-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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