(4-ethyl-5-methyl-thiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-ethyl-5-methyl-thiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-ethyl-5-methyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-ethyl-5-methyl-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-ethyl-5-methyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H22N3OS+ MolecularWeight: 316.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C17H21N3OS/c1-3-14-12-15(22-13(14)2)17(21)20-10-8-19(9-11-20)16-6-4-5-7-18-16/h4-7,12H,3,8-11H2,1-2H3/p+1