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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)N5CC[NH+](CC5)C

InChI

InChI=1S/C22H26N4O2S/c1-15-10-18(19-13-29-22(23-19)25-8-6-24(3)7-9-25)16(2)26(15)12-17-4-5-20-21(11-17)28-14-27-20/h4-5,10-11,13H,6-9,12,14H2,1-3H3/p+1