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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3/c1-4-5-15-27(2)26(29)23-13-16-28(17-14-23)19-22-11-12-24(25(18-22)30-3)31-20-21-9-7-6-8-10-21/h6-12,18,23H,4-5,13-17,19-20H2,1-3H3/p+1