N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzothiazole-6-carboxamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H25N3O3S/c27-23(18-4-5-19-22(14-18)30-16-24-19)26(10-9-25-7-1-2-8-25)15-17-3-6-20-21(13-17)29-12-11-28-20/h3-6,13-14,16H,1-2,7-12,15H2/p+1