(E)-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pent-2-enamide

Systemtic Name: (E)-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pent-2-enamide Openeye Name: (E)-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pent-2-enamide CAS Name: (E)-4-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-pentenamide IUPAC Name: (E)-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pent-2-enamide Traditional Name: (E)-4-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pent-2-enamide Formula: C20H31N2O+ MolecularWeight: 315.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)NC1CCC[NH+](C1)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)/C=C/C(=O)N[C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O/c1-17(2)12-13-20(23)21-19-11-7-15-22(16-19)14-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-13,17,19H,6-7,10-11,14-16H2,1-2H3,(H,21,23)/p+1/b13-12+/t19-/m0/s1