N-butyl-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C24H32ClN2O2+ MolecularWeight: 415.97608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C24H31ClN2O2/c1-2-3-13-27(17-19-7-5-4-6-8-19)24(29)20-11-14-26(15-12-20)18-21-16-22(25)9-10-23(21)28/h4-10,16,20,28H,2-3,11-15,17-18H2,1H3/p+1