4-(3-methylpyridin-1-ium-4-yl)-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-methylpyridin-1-ium-4-yl)-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-methylpyridin-1-ium-4-yl)-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-methyl-4-pyridin-1-iumyl)-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-methylpyridin-1-ium-4-yl)-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methylpyridin-1-ium-4-yl)-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1,4-diazepane-1-carboxamide Formula: C17H26N7O+ MolecularWeight: 344.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)NC(=O)N2CCCN(CC2)C3=C(C=[NH+]C=C3)C

Isomeric SMILES

CCCC1=NC(=NN1)NC(=O)N2CCCN(CC2)C3=C(C=[NH+]C=C3)C

InChI

InChI=1S/C17H25N7O/c1-3-5-15-19-16(22-21-15)20-17(25)24-9-4-8-23(10-11-24)14-6-7-18-12-13(14)2/h6-7,12H,3-5,8-11H2,1-2H3,(H2,19,20,21,22,25)/p+1