4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole

Systemtic Name: 4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H26N4OS/c1-15-13-19(16(2)25(15)17-5-7-18(26-4)8-6-17)20-14-27-21(22-20)24-11-9-23(3)10-12-24/h5-8,13-14H,9-12H2,1-4H3/p+1