ethyl 1-[3-(4-methyl-2-prop-2-enyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-(4-methyl-2-prop-2-enyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2-allyl-4-methyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-allyl-4-methyl-phenoxy)propyl]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)C1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)C)CC=C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)C)CC=C

InChI

InChI=1S/C21H31NO3/c1-4-7-19-16-17(3)8-9-20(19)25-15-6-12-22-13-10-18(11-14-22)21(23)24-5-2/h4,8-9,16,18H,1,5-7,10-15H2,2-3H3/p+1