3-[3-(dimethylamino)propyl]-4-[(E)-1-methoxy-3-methyl-6-phenyl-hex-5-enyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[3-(dimethylamino)propyl]-4-[(E)-1-methoxy-3-methyl-6-phenyl-hex-5-enyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[3-(dimethylamino)propyl]-4-[(E)-1-methoxy-3-methyl-6-phenyl-hex-5-enyl]oxadiazol-3-ium-5-olate CAS Name: 3-[3-(dimethylamino)propyl]-4-[(E)-1-methoxy-3-methyl-6-phenylhex-5-enyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[3-(dimethylamino)propyl]-4-[(E)-1-methoxy-3-methyl-6-phenylhex-5-enyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[3-(dimethylamino)propyl]-4-[(E)-1-methoxy-3-methyl-6-phenyl-hex-5-enyl]oxadiazol-3-ium-5-olate Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CC=CC=C1)CC(C2=C(ON=[N+]2CCCN(C)C)[O-])OC

Isomeric SMILES

CC(C/C=C/C1=CC=CC=C1)CC(C2=C(ON=[N+]2CCCN(C)C)[O-])OC

InChI

InChI=1S/C21H31N3O3/c1-17(10-8-13-18-11-6-5-7-12-18)16-19(26-4)20-21(25)27-22-24(20)15-9-14-23(2)3/h5-8,11-13,17,19H,9-10,14-16H2,1-4H3/b13-8+