4-(3-cyanopyridin-1-ium-2-yl)-N-thiophen-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-thiophen-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(2-thienyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-thiophen-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-thiophen-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(2-thienyl)-1,4-diazepane-1-carboxamide Formula: C16H18N5OS+ MolecularWeight: 328.41202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CS2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CS2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C16H17N5OS/c17-12-13-4-1-6-18-15(13)20-7-3-8-21(10-9-20)16(22)19-14-5-2-11-23-14/h1-2,4-6,11H,3,7-10H2,(H,19,22)/p+1