1-(diethylamino)-7-(phenylmethyl)-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 1-(diethylamino)-7-(phenylmethyl)-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-benzyl-3-(benzylamino)-1-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 1-(diethylamino)-7-(phenylmethyl)-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-benzyl-3-(benzylamino)-1-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-benzyl-3-(benzylamino)-1-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C27H33N5+2 MolecularWeight: 427.58442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C[NH+](CCC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=C2C[NH+](CCC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5/c1-3-32(4-2)27-25-20-31(19-22-13-9-6-10-14-22)16-15-23(25)24(17-28)26(30-27)29-18-21-11-7-5-8-12-21/h5-14H,3-4,15-16,18-20H2,1-2H3,(H,29,30)/p+2