N'-(4-methylphenyl)sulfonyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamimidate

Systemtic Name: N'-(4-methylphenyl)sulfonyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamimidate Openeye Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-N'-(p-tolylsulfonyl)carbamimidate CAS Name: N'-(4-methylphenyl)sulfonyl-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]carbamimidate IUPAC Name: N'-(4-methylphenyl)sulfonyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamimidate Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-N'-tosyl-carbamimidate Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=NC(=CS2)C[NH+]3CCCCC3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=NC(=CS2)C[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C17H22N4O3S2/c1-13-5-7-15(8-6-13)26(23,24)20-16(22)19-17-18-14(12-25-17)11-21-9-3-2-4-10-21/h5-8,12H,2-4,9-11H2,1H3,(H2,18,19,20,22)