1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-methylbutyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-N-isoamyl-piperidin-1-ium-4-carboxamide Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H36N2O3/c1-20(2)11-14-27-26(29)23-12-15-28(16-13-23)18-22-9-10-24(25(17-22)30-3)31-19-21-7-5-4-6-8-21/h4-10,17,20,23H,11-16,18-19H2,1-3H3,(H,27,29)/p+1