4-(2,3-dihydro-1H-inden-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-(2,3-dihydro-1H-inden-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-indan-2-yl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-(2,3-dihydro-1H-inden-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-(2,3-dihydro-1H-inden-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-indan-2-yl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-4-ium-1-carboxamide Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=N1)NC(=O)N2CCC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=NSC(=N1)NC(=O)N2CCC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C18H23N5OS/c1-13-19-17(25-21-13)20-18(24)23-8-4-7-22(9-10-23)16-11-14-5-2-3-6-15(14)12-16/h2-3,5-6,16H,4,7-12H2,1H3,(H,19,20,21,24)/p+1