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

Systemtic Name: N'-(4-methylphenyl)sulfonyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamimidate Openeye Name: N'-(p-tolylsulfonyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamimidate CAS Name: N'-(4-methylphenyl)sulfonyl-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]carbamimidate IUPAC Name: N'-(4-methylphenyl)sulfonyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamimidate Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]-N'-tosyl-carbamimidate Formula: C16H20N4O3S2 MolecularWeight: 380.485

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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+]3CCCC3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=NC(=CS2)C[NH+]3CCCC3)[O-]

InChI

InChI=1S/C16H20N4O3S2/c1-12-4-6-14(7-5-12)25(22,23)19-15(21)18-16-17-13(11-24-16)10-20-8-2-3-9-20/h4-7,11H,2-3,8-10H2,1H3,(H2,17,18,19,21)