N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-(3-methylpyrazol-1-yl)-N-phenethyl-ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-(3-methylpyrazol-1-yl)-N-phenethyl-ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-(3-methylpyrazol-1-yl)-N-phenethyl-acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumyl)methyl]-2-(3-methyl-1-pyrazolyl)-N-phenethylacetamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-(3-methylpyrazol-1-yl)-N-phenethylacetamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-(3-methylpyrazol-1-yl)-N-phenethyl-acetamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CC1=NN(C=C1)CC(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C21H30N4O/c1-18-8-15-25(22-18)17-21(26)24(14-11-19-6-4-3-5-7-19)16-20-9-12-23(2)13-10-20/h3-8,15,20H,9-14,16-17H2,1-2H3/p+1