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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2-pyrazinyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-pyrazin-2-ylmethanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone Formula: C17H18N5OS+ MolecularWeight: 340.42272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5OS/c23-17(14-11-18-5-6-19-14)22-9-7-21(8-10-22)12-16-20-13-3-1-2-4-15(13)24-16/h1-6,11H,7-10,12H2/p+1