ethyl 4-(phenylmethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(phenylmethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(phenylmethyl)-1-(3-phenylprop-2-ynyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H28NO2+ MolecularWeight: 362.48462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC#CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC#CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H27NO2/c1-2-27-23(26)24(20-22-12-7-4-8-13-22)15-18-25(19-16-24)17-9-14-21-10-5-3-6-11-21/h3-8,10-13H,2,15-20H2,1H3/p+1