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

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-16-6-4-5-7-17(16)15-23-10-12-24(13-11-23)21(26)19-14-18(25(27)28)8-9-20(19)22(2)3/h4-9,14H,10-13,15H2,1-3H3/p+1