[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-methyl-2-(3-thienyl)thiazol-5-yl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[4-methyl-2-(3-thiophenyl)-5-thiazolyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone Formula: C21H24N3OS2+ MolecularWeight: 398.56476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(N=C(S3)C4=CSC=C4)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(N=C(S3)C4=CSC=C4)C

InChI

InChI=1S/C21H23N3OS2/c1-15-5-3-4-6-17(15)13-23-8-10-24(11-9-23)21(25)19-16(2)22-20(27-19)18-7-12-26-14-18/h3-7,12,14H,8-11,13H2,1-2H3/p+1