1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine CAS Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: 1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine Formula: C21H37N4O2S+ MolecularWeight: 409.60908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)CN3CCC(CC3)[NH+]4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)CN3CCC(CC3)[NH+]4CCCC4

InChI

InChI=1S/C21H36N4O2S/c1-28(26,27)21-22-15-20(25(21)16-18-7-3-2-4-8-18)17-23-13-9-19(10-14-23)24-11-5-6-12-24/h15,18-19H,2-14,16-17H2,1H3/p+1