methyl 4-[(6S)-2-azanyl-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-4-yl]benzoate

Systemtic Name: methyl 4-[(6S)-2-azanyl-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-4-yl]benzoate Openeye Name: methyl 4-[(6S)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-4-yl]benzoate CAS Name: 4-[(6S)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6S)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-4-yl]benzoate Traditional Name: 4-[(6S)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-1-ium-4-yl]benzoic acid methyl ester Formula: C19H20N3O2+ MolecularWeight: 322.381

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-11-3-8-16-14(9-11)17(15(10-20)18(21)22-16)12-4-6-13(7-5-12)19(23)24-2/h4-7,11H,3,8-9H2,1-2H3,(H2,21,22)/p+1/t11-/m0/s1