(4-ethyl-5-methyl-thiophen-3-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethyl-5-methyl-thiophen-3-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethyl-5-methyl-3-thienyl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-ethyl-5-methyl-3-thiophenyl)-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethyl-5-methylthiophen-3-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethyl-5-methyl-3-thienyl)-(4-m-anisylpiperazin-4-ium-1-yl)methanone Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C20H26N2O2S/c1-4-18-15(2)25-14-19(18)20(23)22-10-8-21(9-11-22)13-16-6-5-7-17(12-16)24-3/h5-7,12,14H,4,8-11,13H2,1-3H3/p+1