3-ethoxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-propoxy-benzamide

Systemtic Name: 3-ethoxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-propoxy-benzamide Openeye Name: 3-ethoxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-propoxy-benzamide CAS Name: 3-ethoxy-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-propoxybenzamide IUPAC Name: 3-ethoxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-propoxybenzamide Traditional Name: 3-ethoxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-propoxy-benzamide Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NCC(C2=CC(=CC=C2)OC)[NH+]3CCCC3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC(=CC=C2)OC)[NH+]3CCCC3)OCC

InChI

InChI=1S/C25H34N2O4/c1-4-15-31-23-12-11-20(17-24(23)30-5-2)25(28)26-18-22(27-13-6-7-14-27)19-9-8-10-21(16-19)29-3/h8-12,16-17,22H,4-7,13-15,18H2,1-3H3,(H,26,28)/p+1/t22-/m0/s1