2-azanyl-4-[4-methoxy-3-(phenoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-3-(phenoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)COC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)COC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2/c1-29-23-13-12-17(14-18(23)16-30-19-8-4-2-5-9-19)24-20-10-6-3-7-11-22(20)28-25(27)21(24)15-26/h2,4-5,8-9,12-14H,3,6-7,10-11,16H2,1H3,(H2,27,28)/p+1