2-azanyl-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridin-1-iumyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C31H31N4O3+ MolecularWeight: 507.60284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C31H30N4O3/c1-31(2)15-25-29(26(36)16-31)28(24(17-32)30(33)35(25)22-8-7-13-34-18-22)20-11-12-27(37-3)21(14-20)19-38-23-9-5-4-6-10-23/h4-14,18,28H,15-16,19,33H2,1-3H3/p+1