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

Systemtic Name: 1-(cyclohexylamino)-3-morpholin-4-yl-7-(phenylmethyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-benzyl-1-(cyclohexylamino)-3-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 1-(cyclohexylamino)-3-(4-morpholinyl)-7-(phenylmethyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-benzyl-1-(cyclohexylamino)-3-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-benzyl-1-(cyclohexylamino)-3-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C26H35N5O+2 MolecularWeight: 433.589

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C[NH+](CCC3=C(C(=[NH+]2)N4CCOCC4)C#N)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=C3C[NH+](CCC3=C(C(=[NH+]2)N4CCOCC4)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C26H33N5O/c27-17-23-22-11-12-30(18-20-7-3-1-4-8-20)19-24(22)25(28-21-9-5-2-6-10-21)29-26(23)31-13-15-32-16-14-31/h1,3-4,7-8,21H,2,5-6,9-16,18-19H2,(H,28,29)/p+2