N-cyclopentyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopentyl-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C20H31N2O3+ MolecularWeight: 347.47174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3CCCC3)O

InChI

InChI=1S/C20H30N2O3/c1-2-25-19-13-15(7-8-18(19)23)14-22-11-9-16(10-12-22)20(24)21-17-5-3-4-6-17/h7-8,13,16-17,23H,2-6,9-12,14H2,1H3,(H,21,24)/p+1