1-(3-morpholin-4-ium-4-ylpropylamino)-3-morpholin-4-yl-7-(phenylmethyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropylamino)-3-morpholin-4-yl-7-(phenylmethyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-benzyl-1-(3-morpholin-4-ium-4-ylpropylamino)-3-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 1-[3-(4-morpholin-4-iumyl)propylamino]-3-(4-morpholinyl)-7-(phenylmethyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-benzyl-1-(3-morpholin-4-ium-4-ylpropylamino)-3-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-benzyl-1-(3-morpholin-4-ium-4-ylpropylamino)-3-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C27H39N6O2+3 MolecularWeight: 479.63756

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C([NH+]=C(C(=C21)C#N)N3CCOCC3)NCCC[NH+]4CCOCC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=C([NH+]=C(C(=C21)C#N)N3CCOCC3)NCCC[NH+]4CCOCC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H36N6O2/c28-19-24-23-7-10-32(20-22-5-2-1-3-6-22)21-25(23)26(30-27(24)33-13-17-35-18-14-33)29-8-4-9-31-11-15-34-16-12-31/h1-3,5-6H,4,7-18,20-21H2,(H,29,30)/p+3