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

Systemtic Name: 4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H26N4S/c1-16-13-19(17(2)25(16)14-18-7-5-4-6-8-18)20-15-26-21(22-20)24-11-9-23(3)10-12-24/h4-8,13,15H,9-12,14H2,1-3H3/p+1