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

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(o-tolylmethyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2OS/c1-14-5-2-3-6-15(14)13-18-8-10-19(11-9-18)17(20)16-7-4-12-21-16/h2-7,12H,8-11,13H2,1H3/p+1