4-(2-methylpyridin-1-ium-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-methylpyridin-1-ium-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-methylpyridin-1-ium-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-(2-methyl-4-pyridin-1-iumyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-methylpyridin-1-ium-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-methylpyridin-1-ium-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Formula: C20H23N6OS+ MolecularWeight: 395.50122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)N2CCCN(CC2)C(=O)NC3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

CC1=[NH+]C=CC(=C1)N2CCCN(CC2)C(=O)NC3=NC(=NS3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6OS/c1-15-14-17(8-9-21-15)25-10-5-11-26(13-12-25)20(27)23-19-22-18(24-28-19)16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,22,23,24,27)/p+1