(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)-4-imidazolyl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

InChI

InChI=1S/C21H35N3O3S/c1-27-20-8-5-11-23(15-20)14-19-12-22-21(28(25,26)16-18-9-10-18)24(19)13-17-6-3-2-4-7-17/h12,17-18,20H,2-11,13-16H2,1H3/p+1/t20-/m0/s1