3-(azepan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-5-(p-tolyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-azepan-1-iumylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-5-(p-tolyl)-1,3,4-oxadiazole-2-thione Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCCC3

InChI

InChI=1S/C16H21N3OS/c1-13-6-8-14(9-7-13)15-17-19(16(21)20-15)12-18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3/p+1