1-(4-methylcyclohexyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(4-methylcyclohexyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(4-methylcyclohexyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-(4-methylcyclohexyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(4-methylcyclohexyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-methylcyclohexyl)-4-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-15-5-7-17(8-6-15)20-11-9-19(10-12-20)14-16-3-2-4-18(13-16)21(22)23/h2-4,13,15,17H,5-12,14H2,1H3/p+2