N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-methyl-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1CN(C)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H34N4O2/c1-21-24(20-30(3)28-21)19-29(2)27(32)23-9-11-25(12-10-23)33-26-14-17-31(18-15-26)16-13-22-7-5-4-6-8-22/h4-12,20,26H,13-19H2,1-3H3/p+1