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

Systemtic Name: 2-azanyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-4-carbonitrile Openeye Name: 2-amino-3-(4-benzyloxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-4-carbonitrile CAS Name: 2-amino-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-4-carbonitrile IUPAC Name: 2-amino-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-4-carbonitrile Traditional Name: 2-amino-3-(4-benzoxyphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-4-carbonitrile Formula: C23H22N3O+ MolecularWeight: 356.44028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H21N3O/c24-14-20-19-8-4-5-9-21(19)26-23(25)22(20)17-10-12-18(13-11-17)27-15-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,15H2,(H2,25,26)/p+1