2-butyl-2-[4-(3-chloranylpyrazin-2-yl)piperazin-1-yl]-1,2-benzothiazol-2-ium-3-one

Systemtic Name: 2-butyl-2-[4-(3-chloranylpyrazin-2-yl)piperazin-1-yl]-1,2-benzothiazol-2-ium-3-one Openeye Name: 2-butyl-2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]-1,2-benzothiazol-2-ium-3-one CAS Name: 2-butyl-2-[4-(3-chloro-2-pyrazinyl)-1-piperazinyl]-1,2-benzothiazol-2-ium-3-one IUPAC Name: 2-butyl-2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]-1,2-benzothiazol-2-ium-3-one Traditional Name: 2-butyl-2-[4-(3-chloropyrazin-2-yl)piperazino]-1,2-benzothiazol-2-ium-3-one Formula: C19H23ClN5OS+ MolecularWeight: 404.93682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)C2=CC=CC=C2S1)N3CCN(CC3)C4=NC=CN=C4Cl

Isomeric SMILES

CCCC[N+]1(C(=O)C2=CC=CC=C2S1)N3CCN(CC3)C4=NC=CN=C4Cl

InChI

InChI=1S/C19H23ClN5OS/c1-2-3-14-25(19(26)15-6-4-5-7-16(15)27-25)24-12-10-23(11-13-24)18-17(20)21-8-9-22-18/h4-9H,2-3,10-14H2,1H3/q+1