5-(1,3-benzodioxol-5-yl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCCN(CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H20N4O3S/c1-18-5-2-6-19(8-7-18)10-20-16(24)23-15(17-20)12-3-4-13-14(9-12)22-11-21-13/h3-4,9H,2,5-8,10-11H2,1H3/p+1