1-(3-morpholin-4-ylpropylamino)-7-(phenylmethyl)-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile

Systemtic Name: 1-(3-morpholin-4-ylpropylamino)-7-(phenylmethyl)-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile Openeye Name: 7-benzyl-1-(3-morpholinopropylamino)-3-(1-piperidyl)-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile CAS Name: 1-[3-(4-morpholinyl)propylamino]-7-(phenylmethyl)-3-(1-piperidinyl)-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile IUPAC Name: 7-benzyl-1-(3-morpholin-4-ylpropylamino)-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile Traditional Name: 7-benzyl-1-(3-morpholinopropylamino)-3-piperidino-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile Formula: C28H39N6O+ MolecularWeight: 475.64886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C(=C3CN(CCC3=C2C#N)CC4=CC=CC=C4)NCCCN5CCOCC5

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C(=C3CN(CCC3=C2C#N)CC4=CC=CC=C4)NCCCN5CCOCC5

InChI

InChI=1S/C28H38N6O/c29-20-25-24-10-15-33(21-23-8-3-1-4-9-23)22-26(24)27(31-28(25)34-13-5-2-6-14-34)30-11-7-12-32-16-18-35-19-17-32/h1,3-4,8-9H,2,5-7,10-19,21-22H2,(H,30,31)/p+1