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

Systemtic Name: ethyl 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32NO4+ MolecularWeight: 362.48308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-4-7-17-8-9-19(20(16-17)24-3)26-15-6-12-22-13-10-18(11-14-22)21(23)25-5-2/h4,7-9,16,18H,5-6,10-15H2,1-3H3/p+1/b7-4+