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

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(3-ethoxy-4-hydroxy-benzyl)-N-methyl-piperidin-1-ium-4-carboxamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3/c1-3-28-22-15-19(9-10-21(22)26)17-25-13-11-20(12-14-25)23(27)24(2)16-18-7-5-4-6-8-18/h4-10,15,20,26H,3,11-14,16-17H2,1-2H3/p+1