dimethyl-[[2-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[2-[[(1S)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[2-[[(1S)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethoxy]-5-(2-pyrimidinyl)phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethoxy]-5-pyrimidin-2-ylphenyl]methyl]azanium Traditional Name: [2-[2-keto-2-[[(1S)-1-(1-naphthyl)ethyl]amino]ethoxy]-5-(2-pyrimidyl)benzyl]-dimethyl-ammonium Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)C4=NC=CC=N4)C[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)C4=NC=CC=N4)C[NH+](C)C

InChI

InChI=1S/C27H28N4O2/c1-19(23-11-6-9-20-8-4-5-10-24(20)23)30-26(32)18-33-25-13-12-21(16-22(25)17-31(2)3)27-28-14-7-15-29-27/h4-16,19H,17-18H2,1-3H3,(H,30,32)/p+1/t19-/m0/s1