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

Systemtic Name: N-butyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-butyl-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)O)OCC

Isomeric SMILES

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)O)OCC

InChI

InChI=1S/C19H30N2O3/c1-3-5-10-20-19(23)16-8-11-21(12-9-16)14-15-6-7-17(22)18(13-15)24-4-2/h6-7,13,16,22H,3-5,8-12,14H2,1-2H3,(H,20,23)/p+1