1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C18H22N2OS/c1-15-4-6-16(7-5-15)14-19-8-10-20(11-9-19)18(21)13-17-3-2-12-22-17/h2-7,12H,8-11,13-14H2,1H3/p+1