(4S)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-ium-5-one

Systemtic Name: (4S)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-ium-5-one Openeye Name: (4S)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-ium-5-one CAS Name: (4S)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-ium-5-one IUPAC Name: (4S)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-ium-5-one Traditional Name: (4S)-2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-ium-5-one Formula: C25H28NO2+ MolecularWeight: 374.49532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C2=C(C(C1)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CCC1=[NH+]C2=C([C@@H](C1)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H27NO2/c1-4-18-14-21(24-22(26-18)15-25(2,3)16-23(24)27)17-9-8-12-20(13-17)28-19-10-6-5-7-11-19/h5-13,21H,4,14-16H2,1-3H3/p+1/t21-/m0/s1