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

Systemtic Name: 7-methyl-3-(phenethylamino)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-methyl-3-(phenethylamino)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-3-(phenethylamino)-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-methyl-3-(phenethylamino)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-methyl-3-(phenethylamino)-1-pyrrolidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C22H29N5+2 MolecularWeight: 363.49916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H27N5/c1-26-14-10-18-19(15-23)21(24-11-9-17-7-3-2-4-8-17)25-22(20(18)16-26)27-12-5-6-13-27/h2-4,7-8H,5-6,9-14,16H2,1H3,(H,24,25)/p+2