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

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]pentanamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]pentanamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]pentanamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]pentanamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]valeramide Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c1-4-5-6-18(25)21-9-10-23-11-13-24(14-12-23)20-22-19-16(3)15(2)7-8-17(19)26-20/h7-8H,4-6,9-14H2,1-3H3,(H,21,25)/p+1