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

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-propoxy-benzamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-propoxy-benzamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-propoxybenzamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-propoxybenzamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-propoxy-benzamide Formula: C26H37N2O2+ MolecularWeight: 409.58418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-5-17-30-23-10-8-9-21(18-23)25(29)27-19-24(28-15-6-7-16-28)20-11-13-22(14-12-20)26(2,3)4/h8-14,18,24H,5-7,15-17,19H2,1-4H3,(H,27,29)/p+1/t24-/m0/s1