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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium Traditional Name: 1-(3-nitrobenzyl)-4-(4-phenylcyclohexyl)piperazine-1,4-diium Formula: C23H31N3O2+2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O2/c27-26(28)23-8-4-5-19(17-23)18-24-13-15-25(16-14-24)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-8,17,21-22H,9-16,18H2/p+2