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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

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