1,8-bis(azanyl)-6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,7-naphthyridin-7-ium-4-carbonitrile

Systemtic Name: 1,8-bis(azanyl)-6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,7-naphthyridin-7-ium-4-carbonitrile Openeye Name: 1,8-diamino-6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,7-naphthyridin-7-ium-4-carbonitrile CAS Name: 1,8-diamino-6-methoxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2,7-naphthyridin-7-ium-4-carbonitrile IUPAC Name: 1,8-diamino-6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,7-naphthyridin-7-ium-4-carbonitrile Traditional Name: 1,8-diamino-6-methoxy-3-[4-(2-methoxyphenyl)piperazino]-2,7-naphthyridin-7-ium-4-carbonitrile Formula: C21H24N7O2+ MolecularWeight: 406.46096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C4=CC(=[NH+]C(=C4C(=N3)N)N)OC)C#N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C4=CC(=[NH+]C(=C4C(=N3)N)N)OC)C#N

InChI

InChI=1S/C21H23N7O2/c1-29-16-6-4-3-5-15(16)27-7-9-28(10-8-27)21-14(12-22)13-11-17(30-2)25-19(23)18(13)20(24)26-21/h3-6,11H,7-10H2,1-2H3,(H2,23,25)(H2,24,26)/p+1