8-(4-phenylmethoxyphenoxy)octyl 2-(1-methylpyrrolidin-1-ium-1-yl)-3-phenyl-propanoate

Systemtic Name: 8-(4-phenylmethoxyphenoxy)octyl 2-(1-methylpyrrolidin-1-ium-1-yl)-3-phenyl-propanoate Openeye Name: 8-(4-benzyloxyphenoxy)octyl 2-(1-methylpyrrolidin-1-ium-1-yl)-3-phenyl-propanoate CAS Name: 2-(1-methyl-1-pyrrolidin-1-iumyl)-3-phenylpropanoic acid 8-(4-phenylmethoxyphenoxy)octyl ester IUPAC Name: 8-(4-phenylmethoxyphenoxy)octyl 2-(1-methylpyrrolidin-1-ium-1-yl)-3-phenylpropanoate Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)-3-phenyl-propionic acid 8-(4-benzoxyphenoxy)octyl ester Formula: C35H46NO4+ MolecularWeight: 544.74404

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C(CC2=CC=CC=C2)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCC1)C(CC2=CC=CC=C2)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H46NO4/c1-36(24-12-13-25-36)34(28-30-16-8-6-9-17-30)35(37)39-27-15-5-3-2-4-14-26-38-32-20-22-33(23-21-32)40-29-31-18-10-7-11-19-31/h6-11,16-23,34H,2-5,12-15,24-29H2,1H3/q+1