[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-thiazol-5-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(4-methyl-2-phenyl-5-thiazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-phenyl-thiazol-5-yl)methanone Formula: C23H23N4OS2+ MolecularWeight: 435.58492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4OS2/c1-16-21(30-22(24-16)17-7-3-2-4-8-17)23(28)27-13-11-26(12-14-27)15-20-25-18-9-5-6-10-19(18)29-20/h2-10H,11-15H2,1H3/p+1