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

Systemtic Name: N-butyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-butyl-piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-N-butyl-piperidin-1-ium-4-carboxamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3/c1-3-4-14-26-25(28)22-12-15-27(16-13-22)18-21-10-11-23(24(17-21)29-2)30-19-20-8-6-5-7-9-20/h5-11,17,22H,3-4,12-16,18-19H2,1-2H3,(H,26,28)/p+1