3-[[(2R)-1-phenylpropan-2-yl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile

Systemtic Name: 3-[[(2R)-1-phenylpropan-2-yl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Openeye Name: 3-[[(1R)-1-methyl-2-phenyl-ethyl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile CAS Name: 3-[[(2R)-1-phenylpropan-2-yl]amino]-4-benzo[b][1,6]naphthyridin-2-iumcarbonitrile IUPAC Name: 3-[[(2R)-1-phenylpropan-2-yl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Traditional Name: 3-[[(1R)-1-methyl-2-phenyl-ethyl]amino]benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Formula: C22H19N4+ MolecularWeight: 339.41306

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=C(C3=NC4=CC=CC=C4C=C3C=[NH+]2)C#N

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)NC2=C(C3=NC4=CC=CC=C4C=C3C=[NH+]2)C#N

InChI

InChI=1S/C22H18N4/c1-15(11-16-7-3-2-4-8-16)25-22-19(13-23)21-18(14-24-22)12-17-9-5-6-10-20(17)26-21/h2-10,12,14-15H,11H2,1H3,(H,24,25)/p+1/t15-/m1/s1