1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(p-tolylmethyl)piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(4-methylbenzyl)piperazin-1-ium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H27N3O4/c1-16-4-6-17(7-5-16)14-22-8-10-23(11-9-22)15-18-12-20(27-2)21(28-3)13-19(18)24(25)26/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1