1-(4-methylcyclohexyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(4-methylcyclohexyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(4-methylcyclohexyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-(4-methylcyclohexyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(4-methylcyclohexyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-methylcyclohexyl)-4-(4-nitrobenzyl)piperazine-1,4-diium Formula: C18H29N3O2+2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O2/c1-15-2-6-17(7-3-15)20-12-10-19(11-13-20)14-16-4-8-18(9-5-16)21(22)23/h4-5,8-9,15,17H,2-3,6-7,10-14H2,1H3/p+2