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

Systemtic Name: (6S)-2-azanyl-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: (6S)-2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: (6S)-2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: (6S)-2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: (6S)-2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-11-4-6-15-13(8-11)18(14(10-20)19(21)22-15)12-5-7-16(23-2)17(9-12)24-3/h5,7,9,11H,4,6,8H2,1-3H3,(H2,21,22)/p+1/t11-/m0/s1