6-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(5-chloro-2-thienyl)methyl-methyl-amino]-N-(5-methylisoxazol-3-yl)pyridin-1-ium-3-sulfonamide CAS Name: 6-[(5-chloro-2-thiophenyl)methyl-methylamino]-N-(5-methyl-3-isoxazolyl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(5-chloro-2-thienyl)methyl-methyl-amino]-N-(5-methylisoxazol-3-yl)pyridin-1-ium-3-sulfonamide Formula: C15H16ClN4O3S2+ MolecularWeight: 399.89554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C15H15ClN4O3S2/c1-10-7-14(18-23-10)19-25(21,22)12-4-6-15(17-8-12)20(2)9-11-3-5-13(16)24-11/h3-8H,9H2,1-2H3,(H,18,19)/p+1