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

Systemtic Name: 1,8-bis(azanyl)-6-methoxy-3-piperazin-4-ium-1-yl-2,7-naphthyridin-7-ium-4-carbonitrile Openeye Name: 1,8-diamino-6-methoxy-3-piperazin-4-ium-1-yl-2,7-naphthyridin-7-ium-4-carbonitrile CAS Name: 1,8-diamino-6-methoxy-3-(1-piperazin-4-iumyl)-2,7-naphthyridin-7-ium-4-carbonitrile IUPAC Name: 1,8-diamino-6-methoxy-3-piperazin-4-ium-1-yl-2,7-naphthyridin-7-ium-4-carbonitrile Traditional Name: 1,8-diamino-6-methoxy-3-piperazin-4-ium-1-yl-2,7-naphthyridin-7-ium-4-carbonitrile Formula: C14H19N7O+2 MolecularWeight: 301.34696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]C(=C2C(=C1)C(=C(N=C2N)N3CC[NH2+]CC3)C#N)N

Isomeric SMILES

COC1=[NH+]C(=C2C(=C1)C(=C(N=C2N)N3CC[NH2+]CC3)C#N)N

InChI

InChI=1S/C14H17N7O/c1-22-10-6-8-9(7-15)14(21-4-2-18-3-5-21)20-13(17)11(8)12(16)19-10/h6,18H,2-5H2,1H3,(H2,16,19)(H2,17,20)/p+2