(4-methylpiperazin-4-ium-1-yl)-(5-propylthiophen-3-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(5-propylthiophen-3-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(5-propyl-3-thienyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(5-propyl-3-thiophenyl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(5-propylthiophen-3-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(5-propyl-3-thienyl)methanone Formula: C13H21N2OS+ MolecularWeight: 253.38364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H20N2OS/c1-3-4-12-9-11(10-17-12)13(16)15-7-5-14(2)6-8-15/h9-10H,3-8H2,1-2H3/p+1