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

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methoxybenzamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methoxybenzamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)OC)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2/c1-24(2,3)20-12-10-18(11-13-20)22(26-14-5-6-15-26)17-25-23(27)19-8-7-9-21(16-19)28-4/h7-13,16,22H,5-6,14-15,17H2,1-4H3,(H,25,27)/p+1/t22-/m0/s1