6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxo-N-(3-thienylmethyl)-1H-pyridine-3-carboxamide CAS Name: 6-(1-azepan-1-iumylmethyl)-2-oxo-N-(3-thiophenylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxo-N-(thiophen-3-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-2-keto-N-(3-thenyl)-1H-pyridine-3-carboxamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CSC=C3

InChI

InChI=1S/C18H23N3O2S/c22-17(19-11-14-7-10-24-13-14)16-6-5-15(20-18(16)23)12-21-8-3-1-2-4-9-21/h5-7,10,13H,1-4,8-9,11-12H2,(H,19,22)(H,20,23)/p+1