N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NCC(C2=CC(=CC=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NC[C@@H](C2=CC(=CC=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H30N4O2/c1-15-19(16(2)24(3)23-15)13-21(26)22-14-20(25-10-5-6-11-25)17-8-7-9-18(12-17)27-4/h7-9,12,20H,5-6,10-11,13-14H2,1-4H3,(H,22,26)/p+1/t20-/m0/s1