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

Systemtic Name: 1-(phenethylamino)-7-(phenylmethyl)-3-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-benzyl-1-(phenethylamino)-3-(1-piperidyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 1-(phenethylamino)-7-(phenylmethyl)-3-(1-piperidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-benzyl-1-(phenethylamino)-3-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-benzyl-1-(phenethylamino)-3-piperidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C29H35N5+2 MolecularWeight: 453.6217

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C(=C3C[NH+](CCC3=C2C#N)CC4=CC=CC=C4)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C(=C3C[NH+](CCC3=C2C#N)CC4=CC=CC=C4)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H33N5/c30-20-26-25-15-19-33(21-24-12-6-2-7-13-24)22-27(25)28(31-16-14-23-10-4-1-5-11-23)32-29(26)34-17-8-3-9-18-34/h1-2,4-7,10-13H,3,8-9,14-19,21-22H2,(H,31,32)/p+2