1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-(4-nitrobenzyl)piperazine-1,4-diium Formula: C21H29N3O4+2 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

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