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

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone Openeye Name: (4-methyl-2-phenyl-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-phenyl-5-thiazolyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-thiazol-5-yl)methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

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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=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS/c1-17-8-6-7-11-20(17)16-25-12-14-26(15-13-25)23(27)21-18(2)24-22(28-21)19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3/p+1