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

Systemtic Name: 7-(phenylmethyl)-3-[(phenylmethyl)amino]-1-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile Openeye Name: 7-benzyl-3-(benzylamino)-1-(1-piperidyl)-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile CAS Name: 7-(phenylmethyl)-3-[(phenylmethyl)amino]-1-(1-piperidinyl)-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile IUPAC Name: 7-benzyl-3-(benzylamino)-1-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile Traditional Name: 7-benzyl-3-(benzylamino)-1-piperidino-6,8-dihydro-5H-2,7-naphthyridin-2-ium-4-carbonitrile Formula: C28H32N5+ MolecularWeight: 438.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CN(CCC3=C(C(=[NH+]2)NCC4=CC=CC=C4)C#N)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C3CN(CCC3=C(C(=[NH+]2)NCC4=CC=CC=C4)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5/c29-18-25-24-14-17-32(20-23-12-6-2-7-13-23)21-26(24)28(33-15-8-3-9-16-33)31-27(25)30-19-22-10-4-1-5-11-22/h1-2,4-7,10-13H,3,8-9,14-17,19-21H2,(H,30,31)/p+1