[(2S,3S)-4-[azanyl-[(4-pyridin-2-ylphenyl)methyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium

Systemtic Name: [(2S,3S)-4-[azanyl-[(4-pyridin-2-ylphenyl)methyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium Openeye Name: [(1S,2S)-3-[amino-[[4-(2-pyridyl)phenyl]methyl]amino]-1-benzyl-2-hydroxy-propyl]ammonium CAS Name: [(2S,3S)-4-[amino-[[4-(2-pyridinyl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]ammonium IUPAC Name: [(2S,3S)-4-[amino-[(4-pyridin-2-ylphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]azanium Traditional Name: [(1S,2S)-3-[amino-[4-(2-pyridyl)benzyl]amino]-1-benzyl-2-hydroxy-propyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)N)O)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)N)O)[NH3+]

InChI

InChI=1S/C22H26N4O/c23-20(14-17-6-2-1-3-7-17)22(27)16-26(24)15-18-9-11-19(12-10-18)21-8-4-5-13-25-21/h1-13,20,22,27H,14-16,23-24H2/p+1/t20-,22-/m0/s1