[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone Openeye Name: (5-methyl-2-thienyl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-2-thiophenyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone Traditional Name: [4-(4-methylbenzyl)piperazin-4-ium-1-yl]-(5-methyl-2-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=CC=C(S3)C

Isomeric SMILES

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

InChI

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