N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C18H26N4O3S/c1-14-17(15(2)25-21-14)26(23,24)20-13-16-9-8-10-19-18(16)22-11-6-4-3-5-7-12-22/h8-10,20H,3-7,11-13H2,1-2H3/p+1