1-[(1R,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(2-nitrobenzyl)piperazine-1,4-diium Formula: C18H29N3O2+2 MolecularWeight: 319.44176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O2/c1-15-5-4-7-17(13-15)20-11-9-19(10-12-20)14-16-6-2-3-8-18(16)21(22)23/h2-3,6,8,15,17H,4-5,7,9-14H2,1H3/p+2/t15-,17+/m0/s1