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

Systemtic Name: N-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-amine Openeye Name: N-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-amine CAS Name: N-(4-methoxyphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-thiazolamine IUPAC Name: N-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-amine Traditional Name: (4-methoxyphenyl)-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]amine Formula: C20H25N5OS+2 MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5OS/c1-26-18-7-5-16(6-8-18)22-20-23-17(15-27-20)14-24-10-12-25(13-11-24)19-4-2-3-9-21-19/h2-9,15H,10-14H2,1H3,(H,22,23)/p+2