N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C20H28N4O/c1-15-19(16(2)23(3)22-15)12-20(25)21-13-17-8-4-5-9-18(17)14-24-10-6-7-11-24/h4-5,8-9H,6-7,10-14H2,1-3H3,(H,21,25)/p+1