2-[[4-cyano-7-(phenylmethyl)-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridin-3-yl]amino]ethylazanium

Systemtic Name: 2-[[4-cyano-7-(phenylmethyl)-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridin-3-yl]amino]ethylazanium Openeye Name: 2-[[1-(allylamino)-7-benzyl-4-cyano-6,8-dihydro-5H-2,7-naphthyridin-3-yl]amino]ethylammonium CAS Name: 2-[[4-cyano-7-(phenylmethyl)-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridin-3-yl]amino]ethylammonium IUPAC Name: 2-[[7-benzyl-4-cyano-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridin-3-yl]amino]ethylazanium Traditional Name: 2-[[1-(allylamino)-7-benzyl-4-cyano-6,8-dihydro-5H-2,7-naphthyridin-3-yl]amino]ethylammonium Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C2CN(CCC2=C(C(=N1)NCC[NH3+])C#N)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=C2CN(CCC2=C(C(=N1)NCC[NH3+])C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N6/c1-2-10-24-21-19-15-27(14-16-6-4-3-5-7-16)12-8-17(19)18(13-23)20(26-21)25-11-9-22/h2-7H,1,8-12,14-15,22H2,(H2,24,25,26)/p+1