[4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] propanoate

Systemtic Name: [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] propanoate Openeye Name: [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methyl-4-piperidin-1-iumyl] ester IUPAC Name: [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] ester Formula: C19H26NO4+ MolecularWeight: 332.41404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[NH+](CC1)C)C#CCOC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(=O)OC1(CC[NH+](CC1)C)C#CCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25NO4/c1-4-18(21)24-19(11-13-20(2)14-12-19)10-5-15-23-17-8-6-16(22-3)7-9-17/h6-9H,4,11-15H2,1-3H3/p+1