(5-methylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-methylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-methyl-3-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-methyl-3-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-methylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-methyl-3-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C15H18N3OS+ MolecularWeight: 288.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=CS1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H17N3OS/c1-12-10-13(11-20-12)15(19)18-8-6-17(7-9-18)14-4-2-3-5-16-14/h2-5,10-11H,6-9H2,1H3/p+1