2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2-propylsulfanylbenzimidazol-1-yl)methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2-propylsulfanylbenzimidazol-1-yl)methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2-propylsulfanylbenzimidazol-1-yl)methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[2-(propylthio)-1-benzimidazolyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2-propylsulfanylbenzimidazol-1-yl)methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[2-(propylthio)benzimidazol-1-yl]methyl]ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2N1C[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCSC1=NC2=CC=CC=C2N1C[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O2S/c1-3-12-27-21-22-17-6-4-5-7-18(17)24(21)15-23(2)14-16-8-9-19-20(13-16)26-11-10-25-19/h4-9,13H,3,10-12,14-15H2,1-2H3/p+1