(6R)-2-azanyl-6-tert-butyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: (6R)-2-azanyl-6-tert-butyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: (6R)-2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxy-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: (6R)-2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: (6R)-2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: (6R)-2-amino-6-tert-butyl-4-(3-ethoxy-4-hydroxy-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C(=[NH+]C3=C2CC(CC3)C(C)(C)C)N)C#N)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C(=[NH+]C3=C2C[C@@H](CC3)C(C)(C)C)N)C#N)O

InChI

InChI=1S/C22H27N3O2/c1-5-27-19-10-13(6-9-18(19)26)20-15-11-14(22(2,3)4)7-8-17(15)25-21(24)16(20)12-23/h6,9-10,14,26H,5,7-8,11H2,1-4H3,(H2,24,25)/p+1/t14-/m1/s1