ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-(3-methylbut-2-enyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32NO3+ MolecularWeight: 346.48368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3/c1-5-25-20(23)21(16-18-7-6-8-19(15-18)24-4)10-13-22(14-11-21)12-9-17(2)3/h6-9,15H,5,10-14,16H2,1-4H3/p+1