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

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-benzamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-benzamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-methylbenzamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methylbenzamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-benzamide Formula: C24H33N2O+ MolecularWeight: 365.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

InChI

InChI=1S/C24H32N2O/c1-18-9-5-6-10-21(18)23(27)25-17-22(26-15-7-8-16-26)19-11-13-20(14-12-19)24(2,3)4/h5-6,9-14,22H,7-8,15-17H2,1-4H3,(H,25,27)/p+1/t22-/m0/s1