1,8-bis(azanyl)-6-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2,7-naphthyridine-4-carbonitrile

Systemtic Name: 1,8-bis(azanyl)-6-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2,7-naphthyridine-4-carbonitrile Openeye Name: 1,8-diamino-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-methoxy-2,7-naphthyridine-4-carbonitrile CAS Name: 1,8-diamino-6-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2,7-naphthyridine-4-carbonitrile IUPAC Name: 1,8-diamino-6-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2,7-naphthyridine-4-carbonitrile Traditional Name: 1,8-diamino-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-methoxy-2,7-naphthyridine-4-carbonitrile Formula: C23H26N7O+ MolecularWeight: 416.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C2C(=C1)C(=C(N=C2N)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C#N)N

Isomeric SMILES

COC1=NC(=C2C(=C1)C(=C(N=C2N)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C#N)N

InChI

InChI=1S/C23H25N7O/c1-31-19-14-17-18(15-24)23(28-22(26)20(17)21(25)27-19)30-12-10-29(11-13-30)9-5-8-16-6-3-2-4-7-16/h2-8,14H,9-13H2,1H3,(H2,25,27)(H2,26,28)/p+1/b8-5+