3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (E)-octadec-9-enoate

Systemtic Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (E)-octadec-9-enoate Openeye Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-(2-pyridyl)propan-1-amine; (E)-octadec-9-enoate CAS Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine; (E)-9-octadecenoate IUPAC Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; (E)-octadec-9-enoate Traditional Name: [3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-dimethyl-amine; (E)-octadec-9-enoate Formula: C34H52ClN2O2- MolecularWeight: 556.24188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2

InChI

InChI=1S/C18H34O2.C16H19ClN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-9,11,15H,10,12H2,1-2H3/p-1/b10-9+;