N-cyclohexyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclohexyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: N-cyclohexyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-cyclohexyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclohexyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: N-cyclohexyl-1-(2-hydroxy-3-methoxy-benzyl)-N-methyl-piperidin-1-ium-4-carboxamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C21H32N2O3/c1-22(18-8-4-3-5-9-18)21(25)16-11-13-23(14-12-16)15-17-7-6-10-19(26-2)20(17)24/h6-7,10,16,18,24H,3-5,8-9,11-15H2,1-2H3/p+1