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

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-4-ium-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[2-(3-thiophenyl)-4-thiazolyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H21N3OS2/c1-15-4-2-3-5-16(15)12-22-7-9-23(10-8-22)20(24)18-14-26-19(21-18)17-6-11-25-13-17/h2-6,11,13-14H,7-10,12H2,1H3/p+1