ethyl 1-[4-(3-propan-2-ylphenoxy)butyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[4-(3-propan-2-ylphenoxy)butyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[4-(3-isopropylphenoxy)butyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[4-(3-propan-2-ylphenoxy)butyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-propan-2-ylphenoxy)butyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-(3-isopropylphenoxy)butyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)C(C)C

InChI

InChI=1S/C21H33NO3/c1-4-24-21(23)18-10-13-22(14-11-18)12-5-6-15-25-20-9-7-8-19(16-20)17(2)3/h7-9,16-18H,4-6,10-15H2,1-3H3/p+1