N-(3-ethoxypropyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-(3-ethoxypropyl)piperidin-1-ium-4-carboxamide CAS Name: N-(3-ethoxypropyl)-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-ethoxypropyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-(3-ethoxypropyl)piperidin-1-ium-4-carboxamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O3/c1-2-29-17-7-14-26-25(28)23-12-15-27(16-13-23)19-22-10-6-11-24(18-22)30-20-21-8-4-3-5-9-21/h3-6,8-11,18,23H,2,7,12-17,19-20H2,1H3,(H,26,28)/p+1