ethyl 2-cyano-2-[1-naphthalen-2-yl-1-(phenylmethyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[1-naphthalen-2-yl-1-(phenylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: ethyl 2-[1-benzyl-1-(2-naphthyl)piperidin-1-ium-4-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[1-(2-naphthalenyl)-1-(phenylmethyl)-4-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-1-naphthalen-2-ylpiperidin-1-ium-4-yl)-2-cyanoacetate Traditional Name: 2-[1-benzyl-1-(2-naphthyl)piperidin-1-ium-4-yl]-2-cyano-acetic acid ethyl ester Formula: C27H29N2O2+ MolecularWeight: 413.53136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1CC[N+](CC1)(CC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(C#N)C1CC[N+](CC1)(CC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H29N2O2/c1-2-31-27(30)26(19-28)23-14-16-29(17-15-23,20-21-8-4-3-5-9-21)25-13-12-22-10-6-7-11-24(22)18-25/h3-13,18,23,26H,2,14-17,20H2,1H3/q+1