2-[(S)-azepan-1-ium-1-yl(phenyl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(S)-azepan-1-ium-1-yl(phenyl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(S)-azepan-1-ium-1-yl(phenyl)methyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(S)-1-azepan-1-iumyl(phenyl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(S)-azepan-1-ium-1-yl(phenyl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(S)-azepan-1-ium-1-yl(phenyl)methyl]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C3=CC=CC=C3)[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C3=CC=CC=C3)[NH+]4CCCCCC4

InChI

InChI=1S/C22H25N3O/c1-17-11-13-19(14-12-17)21-23-24-22(26-21)20(18-9-5-4-6-10-18)25-15-7-2-3-8-16-25/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3/p+1/t20-/m0/s1