(6S)-2-azanyl-6-tert-butyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: (6S)-2-azanyl-6-tert-butyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: (6S)-2-amino-6-tert-butyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: (6S)-2-amino-6-tert-butyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: (6S)-2-amino-6-tert-butyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: (6S)-2-amino-6-tert-butyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O2/c1-22(2,3)14-7-8-17-15(11-14)20(16(12-23)21(24)25-17)13-6-9-18(26-4)19(10-13)27-5/h6,9-10,14H,7-8,11H2,1-5H3,(H2,24,25)/p+1/t14-/m0/s1