1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-(methoxymethyl)piperidin-1-ium

Systemtic Name: 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-(methoxymethyl)piperidin-1-ium Openeye Name: 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-(methoxymethyl)piperidin-1-ium CAS Name: 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl]-4-(methoxymethyl)piperidin-1-ium IUPAC Name: 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-(methoxymethyl)piperidin-1-ium Traditional Name: 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-4-(methoxymethyl)piperidin-1-ium Formula: C20H36N3O3S+ MolecularWeight: 398.58314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCC(CC3)COC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCC(CC3)COC

InChI

InChI=1S/C20H35N3O3S/c1-3-4-10-23-19(14-22-11-8-17(9-12-22)15-26-2)13-21-20(23)27(24,25)16-18-6-5-7-18/h13,17-18H,3-12,14-16H2,1-2H3/p+1