2-azanyl-4-[4-methoxy-3-(phenoxymethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-3-(phenoxymethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C24H24N3O2+ MolecularWeight: 386.46626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2/c1-28-22-12-11-16(13-17(22)15-29-18-7-3-2-4-8-18)23-19-9-5-6-10-21(19)27-24(26)20(23)14-25/h2-4,7-8,11-13H,5-6,9-10,15H2,1H3,(H2,26,27)/p+1