4-methyl-2-[(S)-(3-methylphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-thiazole

Systemtic Name: 4-methyl-2-[(S)-(3-methylphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-thiazole Openeye Name: 4-methyl-2-[(S)-m-tolyl(piperazin-4-ium-1-yl)methyl]thiazole CAS Name: 4-methyl-2-[(S)-(3-methylphenyl)-(1-piperazin-4-iumyl)methyl]thiazole IUPAC Name: 4-methyl-2-[(S)-(3-methylphenyl)-piperazin-4-ium-1-ylmethyl]-1,3-thiazole Traditional Name: 4-methyl-2-[(S)-m-tolyl(piperazin-4-ium-1-yl)methyl]thiazole Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=NC(=CS2)C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C2=NC(=CS2)C)N3CC[NH2+]CC3

InChI

InChI=1S/C16H21N3S/c1-12-4-3-5-14(10-12)15(16-18-13(2)11-20-16)19-8-6-17-7-9-19/h3-5,10-11,15,17H,6-9H2,1-2H3/p+1/t15-/m0/s1