ethyl 1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(1-naphthylamino)-2-oxo-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(1-naphthalenylamino)-2-oxoethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(1-naphthylamino)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H29N2O3+ MolecularWeight: 417.52006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-2-31-25(30)26(21-11-4-3-5-12-21)15-17-28(18-16-26)19-24(29)27-23-14-8-10-20-9-6-7-13-22(20)23/h3-14H,2,15-19H2,1H3,(H,27,29)/p+1