N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-propoxybenzamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-propoxybenzamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide Formula: C26H37N2O2+ MolecularWeight: 409.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

InChI

InChI=1S/C26H36N2O2/c1-5-18-30-24-11-7-6-10-22(24)25(29)27-19-23(28-16-8-9-17-28)20-12-14-21(15-13-20)26(2,3)4/h6-7,10-15,23H,5,8-9,16-19H2,1-4H3,(H,27,29)/p+1/t23-/m0/s1