1-(2,4-dinitrophenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,4-dinitrophenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,4-dinitrophenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,4-dinitrophenyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,4-dinitrophenyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,4-dinitrophenyl)-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium Formula: C19H23N4O5+ MolecularWeight: 387.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-14-3-6-19(28-2)15(11-14)13-20-7-9-21(10-8-20)17-5-4-16(22(24)25)12-18(17)23(26)27/h3-6,11-12H,7-10,13H2,1-2H3/p+1