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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-2-phenyl-triazol-4-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(5-methyl-2-phenyl-4-triazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-2-phenyl-triazol-4-yl)methanone Formula: C22H23N6OS+ MolecularWeight: 419.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H22N6OS/c1-16-21(25-28(24-16)17-7-3-2-4-8-17)22(29)27-13-11-26(12-14-27)15-20-23-18-9-5-6-10-19(18)30-20/h2-10H,11-15H2,1H3/p+1