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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenyltriazol-4-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2-phenyl-4-triazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenyltriazol-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-phenyltriazol-4-yl)methanone Formula: C21H21N6OS+ MolecularWeight: 405.49604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=NN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=NN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H20N6OS/c28-21(18-14-22-27(24-18)16-6-2-1-3-7-16)26-12-10-25(11-13-26)15-20-23-17-8-4-5-9-19(17)29-20/h1-9,14H,10-13,15H2/p+1