(4-ethyl-5-methyl-thiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethyl-5-methyl-thiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethyl-5-methyl-2-thienyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-ethyl-5-methyl-2-thiophenyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethyl-5-methylthiophen-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethyl-5-methyl-2-thienyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

InChI

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