1-(cyclohexylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-(cyclohexylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-(cyclohexylmethyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-(cyclohexylmethyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-(cyclohexylmethyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-(cyclohexylmethyl)-4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S/c1-26(24,25)16-7-8-17(18(13-16)21(22)23)20-11-9-19(10-12-20)14-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3/p+1