ethyl 4-(2-methoxyethyl)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-(4-hydroxybut-1-ynyl)benzyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H32NO4+ MolecularWeight: 374.49378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)C#CCCO)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)C#CCCO)CCOC

InChI

InChI=1S/C22H31NO4/c1-3-27-21(25)22(13-17-26-2)11-14-23(15-12-22)18-20-9-7-19(8-10-20)6-4-5-16-24/h7-10,24H,3,5,11-18H2,1-2H3/p+1