N-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methyl]-6-morpholin-4-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methyl]-6-morpholin-4-yl-pyridin-1-ium-3-sulfonamide Openeye Name: N-[(5-methyl-2-phenyl-triazol-4-yl)methyl]-6-morpholino-pyridin-1-ium-3-sulfonamide CAS Name: N-[(5-methyl-2-phenyl-4-triazolyl)methyl]-6-(4-morpholinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide Traditional Name: N-[(5-methyl-2-phenyl-triazol-4-yl)methyl]-6-morpholino-pyridin-1-ium-3-sulfonamide Formula: C19H23N6O3S+ MolecularWeight: 415.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1CNS(=O)(=O)C2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1CNS(=O)(=O)C2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C19H22N6O3S/c1-15-18(23-25(22-15)16-5-3-2-4-6-16)14-21-29(26,27)17-7-8-19(20-13-17)24-9-11-28-12-10-24/h2-8,13,21H,9-12,14H2,1H3/p+1