2-aminocarbonyloxypropyl(trimethyl)azanium; (4-methylphenyl)-phenyl-methanone; chloride

Systemtic Name: 2-aminocarbonyloxypropyl(trimethyl)azanium; (4-methylphenyl)-phenyl-methanone; chloride Openeye Name: 2-carbamoyloxypropyl(trimethyl)ammonium; phenyl(p-tolyl)methanone; chloride CAS Name: 2-carbamoyloxypropyl(trimethyl)ammonium; (4-methylphenyl)-phenylmethanone; chloride IUPAC Name: 2-carbamoyloxypropyl(trimethyl)azanium; (4-methylphenyl)-phenylmethanone; chloride Traditional Name: 2-carbamoyloxypropyl(trimethyl)ammonium; phenyl(p-tolyl)methanone; chloride Formula: C21H29ClN2O3 MolecularWeight: 392.91956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2.CC(C[N+](C)(C)C)OC(=O)N.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2.CC(C[N+](C)(C)C)OC(=O)N.[Cl-]

InChI

InChI=1S/C14H12O.C7H16N2O2.ClH/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;1-6(11-7(8)10)5-9(2,3)4;/h2-10H,1H3;6H,5H2,1-4H3,(H-,8,10);1H