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

Systemtic Name: 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C22H29N4S+ MolecularWeight: 381.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C3=CSC(=N3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C3=CSC(=N3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H28N4S/c1-16-14-20(18(3)26(16)17(2)19-8-6-5-7-9-19)21-15-27-22(23-21)25-12-10-24(4)11-13-25/h5-9,14-15,17H,10-13H2,1-4H3/p+1/t17-/m1/s1