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

Systemtic Name: 1-(3,3-dimethylpiperidin-1-yl)-7-(phenylmethyl)-3-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-benzyl-1-(3,3-dimethyl-1-piperidyl)-3-(1-piperidyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 1-(3,3-dimethyl-1-piperidinyl)-7-(phenylmethyl)-3-(1-piperidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-benzyl-1-(3,3-dimethylpiperidino)-3-piperidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C28H39N5+2 MolecularWeight: 445.64276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C2=C3C[NH+](CCC3=C(C(=[NH+]2)N4CCCCC4)C#N)CC5=CC=CC=C5)C

Isomeric SMILES

CC1(CCCN(C1)C2=C3C[NH+](CCC3=C(C(=[NH+]2)N4CCCCC4)C#N)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H37N5/c1-28(2)13-9-16-33(21-28)27-25-20-31(19-22-10-5-3-6-11-22)17-12-23(25)24(18-29)26(30-27)32-14-7-4-8-15-32/h3,5-6,10-11H,4,7-9,12-17,19-21H2,1-2H3/p+2