(2,5-dimethoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,5-dimethoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2,5-dimethoxyphenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,5-dimethoxyphenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2,5-dimethoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2,5-dimethoxyphenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O3S+ MolecularWeight: 347.45182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22N2O3S/c1-22-15-3-4-17(23-2)16(11-15)18(21)20-8-6-19(7-9-20)12-14-5-10-24-13-14/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1