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

Systemtic Name: 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-hydroxy-3-methoxy-benzyl)-N-isoamyl-piperidin-1-ium-4-carboxamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3/c1-14(2)7-10-20-19(23)15-8-11-21(12-9-15)13-16-5-4-6-17(24-3)18(16)22/h4-6,14-15,22H,7-13H2,1-3H3,(H,20,23)/p+1