[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Openeye Name: (5-methyl-3-thienyl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-thiophenyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Traditional Name: [4-(4-methylbenzyl)piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone 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)C3=CSC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2OS/c1-14-3-5-16(6-4-14)12-19-7-9-20(10-8-19)18(21)17-11-15(2)22-13-17/h3-6,11,13H,7-10,12H2,1-2H3/p+1