N-(4-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(4-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: N-(4-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-thiazol-3-ium-2-amine CAS Name: N-(4-methoxyphenyl)-3-(4-methyl-1-piperazin-4-iumyl)-4-phenyl-2-thiazol-3-iumamine IUPAC Name: N-(4-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: (4-methoxyphenyl)-[3-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-thiazol-3-ium-2-yl]amine Formula: C21H26N4OS+2 MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)[N+]2=C(SC=C2C3=CC=CC=C3)NC4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[N+]2=C(SC=C2C3=CC=CC=C3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H24N4OS/c1-23-12-14-24(15-13-23)25-20(17-6-4-3-5-7-17)16-27-21(25)22-18-8-10-19(26-2)11-9-18/h3-11,16H,12-15H2,1-2H3/p+2