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

Systemtic Name: (5-propan-2-ylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-isopropyl-3-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-propan-2-yl-3-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-propan-2-ylthiophen-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-isopropyl-3-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:

CC(C)C1=CC(=CS1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=CC(=CS1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21N3OS/c1-13(2)15-11-14(12-22-15)17(21)20-9-7-19(8-10-20)16-5-3-4-6-18-16/h3-6,11-13H,7-10H2,1-2H3/p+1