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

Systemtic Name: (4-bromanyl-5-ethyl-thiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-bromo-5-ethyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-bromo-5-ethyl-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-bromo-5-ethylthiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-bromo-5-ethyl-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H19BrN3OS+ MolecularWeight: 381.31056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Br

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Br

InChI

InChI=1S/C16H18BrN3OS/c1-2-13-12(17)11-14(22-13)16(21)20-9-7-19(8-10-20)15-5-3-4-6-18-15/h3-6,11H,2,7-10H2,1H3/p+1