1,8-bis(azanyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methoxy-2,7-naphthyridin-7-ium-4-carbonitrile

Systemtic Name: 1,8-bis(azanyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methoxy-2,7-naphthyridin-7-ium-4-carbonitrile Openeye Name: 1,8-diamino-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-methoxy-2,7-naphthyridin-7-ium-4-carbonitrile CAS Name: 1,8-diamino-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methoxy-2,7-naphthyridin-7-ium-4-carbonitrile IUPAC Name: 1,8-diamino-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-methoxy-2,7-naphthyridin-7-ium-4-carbonitrile Traditional Name: 1,8-diamino-3-[homoveratryl(methyl)amino]-6-methoxy-2,7-naphthyridin-7-ium-4-carbonitrile Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C3=CC(=[NH+]C(=C3C(=N2)N)N)OC)C#N

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C3=CC(=[NH+]C(=C3C(=N2)N)N)OC)C#N

InChI

InChI=1S/C21H24N6O3/c1-27(8-7-12-5-6-15(28-2)16(9-12)29-3)21-14(11-22)13-10-17(30-4)25-19(23)18(13)20(24)26-21/h5-6,9-10H,7-8H2,1-4H3,(H2,23,25)(H2,24,26)/p+1