(3-methoxy-3-oxidanylidene-propyl)-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-(3-methoxy-3-oxo-propyl)ammonium CAS Name: (3-methoxy-3-oxopropyl)-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-(3-methoxy-3-oxopropyl)-propan-2-ylazanium Traditional Name: benzyl-isopropyl-(3-keto-3-methoxy-propyl)ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCC(=O)OC)CC1=CC=CC=C1

Isomeric SMILES

CC(C)[NH+](CCC(=O)OC)CC1=CC=CC=C1

InChI

InChI=1S/C14H21NO2/c1-12(2)15(10-9-14(16)17-3)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/p+1