N-(1-phenethylpiperidin-1-ium-4-yl)-N-(1-phenylpyrazol-3-yl)propanamide

Systemtic Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-(1-phenylpyrazol-3-yl)propanamide Openeye Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-(1-phenylpyrazol-3-yl)propanamide CAS Name: N-(1-phenethyl-4-piperidin-1-iumyl)-N-(1-phenyl-3-pyrazolyl)propanamide IUPAC Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-(1-phenylpyrazol-3-yl)propanamide Traditional Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-(1-phenylpyrazol-3-yl)propionamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC[NH+](CC1)CCC2=CC=CC=C2)C3=NN(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N(C1CC[NH+](CC1)CCC2=CC=CC=C2)C3=NN(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-2-25(30)29(24-16-20-28(26-24)22-11-7-4-8-12-22)23-14-18-27(19-15-23)17-13-21-9-5-3-6-10-21/h3-12,16,20,23H,2,13-15,17-19H2,1H3/p+1