N-(1,3-benzodioxol-5-yl)-1-[(2-propylsulfanylbenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-propylsulfanylbenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-propylsulfanylbenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(propylthio)-1-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-propylsulfanylbenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(propylthio)benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2N1C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCSC1=NC2=CC=CC=C2N1C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N4O3S/c1-2-13-32-24-26-19-5-3-4-6-20(19)28(24)15-27-11-9-17(10-12-27)23(29)25-18-7-8-21-22(14-18)31-16-30-21/h3-8,14,17H,2,9-13,15-16H2,1H3,(H,25,29)/p+1