N-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]thiophene-2-carboxamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C19H28N4O3S/c24-17(14-20-19(26)16-6-5-13-27-16)23-11-9-21(10-12-23)15-18(25)22-7-3-1-2-4-8-22/h5-6,13H,1-4,7-12,14-15H2,(H,20,26)/p+1