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

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(3-ethoxy-4-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=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)O

InChI

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