1,8-bis(azanyl)-6-ethoxy-3-(4-ethylpiperazin-4-ium-1-yl)-2,7-naphthyridin-7-ium-4-carbonitrile

Systemtic Name: 1,8-bis(azanyl)-6-ethoxy-3-(4-ethylpiperazin-4-ium-1-yl)-2,7-naphthyridin-7-ium-4-carbonitrile Openeye Name: 1,8-diamino-6-ethoxy-3-(4-ethylpiperazin-4-ium-1-yl)-2,7-naphthyridin-7-ium-4-carbonitrile CAS Name: 1,8-diamino-6-ethoxy-3-(4-ethyl-1-piperazin-4-iumyl)-2,7-naphthyridin-7-ium-4-carbonitrile IUPAC Name: 1,8-diamino-6-ethoxy-3-(4-ethylpiperazin-4-ium-1-yl)-2,7-naphthyridin-7-ium-4-carbonitrile Traditional Name: 1,8-diamino-6-ethoxy-3-(4-ethylpiperazin-4-ium-1-yl)-2,7-naphthyridin-7-ium-4-carbonitrile Formula: C17H25N7O+2 MolecularWeight: 343.4267

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C3=CC(=[NH+]C(=C3C(=N2)N)N)OCC)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C3=CC(=[NH+]C(=C3C(=N2)N)N)OCC)C#N

InChI

InChI=1S/C17H23N7O/c1-3-23-5-7-24(8-6-23)17-12(10-18)11-9-13(25-4-2)21-15(19)14(11)16(20)22-17/h9H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)/p+2