4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(2-thienylmethyl)butanamide CAS Name: 4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)-N-(2-thenyl)butyramide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H22N4O2S/c23-17(20-14-15-4-3-13-25-15)6-7-18(24)22-11-9-21(10-12-22)16-5-1-2-8-19-16/h1-5,8,13H,6-7,9-12,14H2,(H,20,23)/p+1