N-(3,4-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-amine

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-amine Openeye Name: N-(3,4-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-amine CAS Name: N-(3,4-dimethylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-thiazolamine IUPAC Name: N-(3,4-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-amine Traditional Name: (3,4-dimethylphenyl)-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]amine Formula: C20H25N6S+ MolecularWeight: 381.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H24N6S/c1-15-4-5-17(12-16(15)2)23-20-24-18(14-27-20)13-25-8-10-26(11-9-25)19-21-6-3-7-22-19/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,24)/p+1