[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(1R)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(1R)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(1R)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH2+]C(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH2+][C@@H](C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H25N3O/c1-4-16-10-12-18(13-11-16)21-23-19(25-24-21)14-22-20(15(2)3)17-8-6-5-7-9-17/h5-13,15,20,22H,4,14H2,1-3H3/p+1/t20-/m1/s1