1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H30N4O3S/c1-16(2)13-25-19(14-24-10-8-18(9-11-24)20(22)26)12-23-21(25)29(27,28)15-17-6-4-3-5-7-17/h3-7,12,16,18H,8-11,13-15H2,1-2H3,(H2,22,26)/p+1