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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]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=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)N5C=NC=N5

InChI

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