4-(2,5-dimethylphenyl)-2-(piperazin-4-ium-1-ylmethyl)-1,3-thiazole

Systemtic Name: 4-(2,5-dimethylphenyl)-2-(piperazin-4-ium-1-ylmethyl)-1,3-thiazole Openeye Name: 4-(2,5-dimethylphenyl)-2-(piperazin-4-ium-1-ylmethyl)thiazole CAS Name: 4-(2,5-dimethylphenyl)-2-(1-piperazin-4-iumylmethyl)thiazole IUPAC Name: 4-(2,5-dimethylphenyl)-2-(piperazin-4-ium-1-ylmethyl)-1,3-thiazole Traditional Name: 4-(2,5-dimethylphenyl)-2-(piperazin-4-ium-1-ylmethyl)thiazole Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)CN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)CN3CC[NH2+]CC3

InChI

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