methyl-phenethyl-[2-[[(1S)-1-pyrimidin-4-ylethyl]carbamoyl]-1,3-dihydroinden-2-yl]azanium

Systemtic Name: methyl-phenethyl-[2-[[(1S)-1-pyrimidin-4-ylethyl]carbamoyl]-1,3-dihydroinden-2-yl]azanium Openeye Name: methyl-phenethyl-[2-[[(1S)-1-pyrimidin-4-ylethyl]carbamoyl]indan-2-yl]ammonium CAS Name: methyl-[2-[oxo-[[(1S)-1-(4-pyrimidinyl)ethyl]amino]methyl]-1,3-dihydroinden-2-yl]-phenethylammonium IUPAC Name: methyl-phenethyl-[2-[[(1S)-1-pyrimidin-4-ylethyl]carbamoyl]-1,3-dihydroinden-2-yl]azanium Traditional Name: methyl-phenethyl-[2-[[(1S)-1-(4-pyrimidyl)ethyl]carbamoyl]indan-2-yl]ammonium Formula: C25H29N4O+ MolecularWeight: 401.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-19(23-12-14-26-18-27-23)28-24(30)25(16-21-10-6-7-11-22(21)17-25)29(2)15-13-20-8-4-3-5-9-20/h3-12,14,18-19H,13,15-17H2,1-2H3,(H,28,30)/p+1/t19-/m0/s1