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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloranylpyridin-3-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-3-pyridyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2-chloro-3-pyridinyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloropyridin-3-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-3-pyridyl)methanone Formula: C18H18ClN4OS+ MolecularWeight: 373.87972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4OS/c19-17-13(4-3-7-20-17)18(24)23-10-8-22(9-11-23)12-16-21-14-5-1-2-6-15(14)25-16/h1-7H,8-12H2/p+1