3-[[(3S)-3-(3-methoxyphenyl)-5-oxidanylidene-cyclohexylidene]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-3-(3-methoxyphenyl)-5-oxidanylidene-cyclohexylidene]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-(3-methoxyphenyl)-5-oxo-cyclohexylidene]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-(3-methoxyphenyl)-5-oxocyclohexylidene]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-(3-methoxyphenyl)-5-oxocyclohexylidene]amino]propyl-dimethylazanium Traditional Name: 3-[[(5S)-3-keto-5-(3-methoxyphenyl)cyclohexylidene]amino]propyl-dimethyl-ammonium Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=C1CC(CC(=O)C1)C2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)CCCN=C1C[C@@H](CC(=O)C1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H26N2O2/c1-20(2)9-5-8-19-16-10-15(11-17(21)13-16)14-6-4-7-18(12-14)22-3/h4,6-7,12,15H,5,8-11,13H2,1-3H3/p+1/t15-/m0/s1