N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-propanamide

Systemtic Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-propanamide Openeye Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-propanamide CAS Name: N-(1-phenethyl-4-piperidin-1-iumyl)-N-phenylpropanamide IUPAC Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenylpropanamide Traditional Name: N-(1-phenethylpiperidin-1-ium-4-yl)-N-phenyl-propionamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1