N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]pentanamide

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]pentanamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]pentanamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]pentanamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]pentanamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]valeramide Formula: C19H28ClN4OS+ MolecularWeight: 395.96982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC(=C3C)Cl

Isomeric SMILES

CCCCC(=O)NCC[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC(=C3C)Cl

InChI

InChI=1S/C19H27ClN4OS/c1-3-4-5-17(25)21-8-9-23-10-12-24(13-11-23)19-22-18-14(2)15(20)6-7-16(18)26-19/h6-7H,3-5,8-13H2,1-2H3,(H,21,25)/p+1