2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole

Systemtic Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole Openeye Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]thiazole CAS Name: 2-[2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]thiazole IUPAC Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole Traditional Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]thiazole Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=NC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=NC=CS4)C

InChI

InChI=1S/C20H24N4S/c1-16-5-3-7-19(17(16)2)23-12-10-22(11-13-23)15-18-6-4-9-24(18)20-21-8-14-25-20/h3-9,14H,10-13,15H2,1-2H3/p+1