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

Systemtic Name: 4-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C3=CSC(=N3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C3=CSC(=N3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C22H28N4OS/c1-5-27-19-8-6-18(7-9-19)26-16(2)14-20(17(26)3)21-15-28-22(23-21)25-12-10-24(4)11-13-25/h6-9,14-15H,5,10-13H2,1-4H3/p+1