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

Systemtic Name: 1-(cyclohexylamino)-7-(phenylmethyl)-3-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-benzyl-1-(cyclohexylamino)-3-(1-piperidyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 1-(cyclohexylamino)-7-(phenylmethyl)-3-(1-piperidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-benzyl-1-(cyclohexylamino)-3-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-benzyl-1-(cyclohexylamino)-3-piperidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C27H37N5+2 MolecularWeight: 431.61618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C[NH+](CCC3=C(C(=[NH+]2)N4CCCCC4)C#N)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=C3C[NH+](CCC3=C(C(=[NH+]2)N4CCCCC4)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C27H35N5/c28-18-24-23-14-17-31(19-21-10-4-1-5-11-21)20-25(23)26(29-22-12-6-2-7-13-22)30-27(24)32-15-8-3-9-16-32/h1,4-5,10-11,22H,2-3,6-9,12-17,19-20H2,(H,29,30)/p+2