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

Systemtic Name: 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-N-isobutyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methylpropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-2-hydroxy-benzyl)-N-isobutyl-piperidin-1-ium-4-carboxamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCC(C)C

InChI

InChI=1S/C19H30N2O3/c1-4-24-17-7-5-6-16(18(17)22)13-21-10-8-15(9-11-21)19(23)20-12-14(2)3/h5-7,14-15,22H,4,8-13H2,1-3H3,(H,20,23)/p+1