N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiazol-2-amine CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiazolamine IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)-[5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]thiazol-2-yl]amine Formula: C18H24N7S+ MolecularWeight: 370.49506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC2=NC=C(S2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=NN1)C)NC2=NC=C(S2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H23N7S/c1-13-17(14(2)23-22-13)21-18-20-11-15(26-18)12-24-7-9-25(10-8-24)16-5-3-4-6-19-16/h3-6,11H,7-10,12H2,1-2H3,(H,20,21)(H,22,23)/p+1