3-(dimethylamino)propyl ethanoate; ethanoic acid; triphenylphosphanium

Systemtic Name: 3-(dimethylamino)propyl ethanoate; ethanoic acid; triphenylphosphanium Openeye Name: acetic acid; 3-(dimethylamino)propyl acetate; triphenylphosphonium CAS Name: acetic acid; acetic acid 3-(dimethylamino)propyl ester; triphenylphosphonium IUPAC Name: acetic acid; 3-(dimethylamino)propyl acetate; triphenylphosphanium Traditional Name: acetic acid; acetic acid 3-(dimethylamino)propyl ester; triphenylphosphonium Formula: C27H35NO4P+ MolecularWeight: 468.544861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)OCCCN(C)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O.CC(=O)OCCCN(C)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15P.C7H15NO2.C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(9)10-6-4-5-8(2)3;1-2(3)4/h1-15H;4-6H2,1-3H3;1H3,(H,3,4)/p+1