2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(4-methylphenyl)-1,3-thiazole

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(4-methylphenyl)-1,3-thiazole Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(p-tolyl)thiazole CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-(4-methylphenyl)thiazole IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(4-methylphenyl)-1,3-thiazole Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(p-tolyl)thiazole Formula: C21H23ClN3S+ MolecularWeight: 384.94542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3S/c1-16-5-7-17(8-6-16)20-15-26-21(23-20)14-24-9-11-25(12-10-24)19-4-2-3-18(22)13-19/h2-8,13,15H,9-12,14H2,1H3/p+1