furan-2-ylmethyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-(2-thenyl)ammonium Formula: C21H26N4O2S+2 MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c26-21(25-11-9-24(10-12-25)20-7-1-2-8-22-20)17-23(15-18-5-3-13-27-18)16-19-6-4-14-28-19/h1-8,13-14H,9-12,15-17H2/p+2