[(3S)-4-azanyl-4-oxidanylidene-3-phenyl-3-pyridin-2-yl-butyl]-di(propan-2-yl)azanium

Systemtic Name: [(3S)-4-azanyl-4-oxidanylidene-3-phenyl-3-pyridin-2-yl-butyl]-di(propan-2-yl)azanium Openeye Name: [(3S)-4-amino-4-oxo-3-phenyl-3-(2-pyridyl)butyl]-diisopropyl-ammonium CAS Name: [(3S)-4-amino-4-oxo-3-phenyl-3-(2-pyridinyl)butyl]-di(propan-2-yl)ammonium IUPAC Name: [(3S)-4-amino-4-oxo-3-phenyl-3-pyridin-2-ylbutyl]-di(propan-2-yl)azanium Traditional Name: [(3S)-4-amino-4-keto-3-phenyl-3-(2-pyridyl)butyl]-diisopropyl-ammonium Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C

Isomeric SMILES

CC(C)[NH+](CC[C@](C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C

InChI

InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/p+1/t21-/m0/s1