N-butyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-butyl-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-3-4-10-19-18(22)14-8-11-20(12-9-14)13-15-6-5-7-16(23-2)17(15)21/h5-7,14,21H,3-4,8-13H2,1-2H3,(H,19,22)/p+1