1-[5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C(=O)C

InChI

InChI=1S/C19H22N2O2S/c1-14-4-3-5-16(12-14)13-20-8-10-21(11-9-20)19(23)18-7-6-17(24-18)15(2)22/h3-7,12H,8-11,13H2,1-2H3/p+1