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

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl)O

InChI

InChI=1S/C22H27ClN2O3/c1-2-28-21-13-16(7-8-20(21)26)15-25-11-9-17(10-12-25)22(27)24-14-18-5-3-4-6-19(18)23/h3-8,13,17,26H,2,9-12,14-15H2,1H3,(H,24,27)/p+1