2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H26N4O2S/c20-13-16-7-12-26-18(16)21-17(24)14-22-10-5-15(6-11-22)19(25)23-8-3-1-2-4-9-23/h7,12,15H,1-6,8-11,14H2,(H,21,24)/p+1