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

Systemtic Name: 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(3-ethoxy-2-hydroxy-benzyl)-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C30H37N2O3+ MolecularWeight: 473.62638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H36N2O3/c1-2-35-28-15-9-14-27(29(28)33)23-31-19-17-26(18-20-31)30(34)32(22-25-12-7-4-8-13-25)21-16-24-10-5-3-6-11-24/h3-15,26,33H,2,16-23H2,1H3/p+1