N-ethyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-ethyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-ethyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-ethyl-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-ethyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-ethyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCN(CCN1C=CC=N1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-2-30(21-22-31-17-6-16-28-31)27(32)24-9-11-25(12-10-24)33-26-14-19-29(20-15-26)18-13-23-7-4-3-5-8-23/h3-12,16-17,26H,2,13-15,18-22H2,1H3/p+1