4-(4-butoxyphenyl)-2-ethyl-1-oxidanyl-1-(phenylmethyl)piperidin-1-ium; N-oxidanidylmethanamine

Systemtic Name: 4-(4-butoxyphenyl)-2-ethyl-1-oxidanyl-1-(phenylmethyl)piperidin-1-ium; N-oxidanidylmethanamine Openeye Name: 1-benzyl-4-(4-butoxyphenyl)-2-ethyl-1-hydroxy-piperidin-1-ium; N-oxidomethanamine CAS Name: 4-(4-butoxyphenyl)-2-ethyl-1-hydroxy-1-(phenylmethyl)piperidin-1-ium; N-oxidomethanamine IUPAC Name: 1-benzyl-4-(4-butoxyphenyl)-2-ethyl-1-hydroxypiperidin-1-ium; N-oxidomethanamine Traditional Name: 1-benzyl-4-(4-butoxyphenyl)-2-ethyl-1-hydroxy-piperidin-1-ium; methyl(oxido)amine Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC[N+](C(C2)CC)(CC3=CC=CC=C3)O.CN[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CC[N+](C(C2)CC)(CC3=CC=CC=C3)O.CN[O-]

InChI

InChI=1S/C24H34NO2.CH4NO/c1-3-5-17-27-24-13-11-21(12-14-24)22-15-16-25(26,23(4-2)18-22)19-20-9-7-6-8-10-20;1-2-3/h6-14,22-23,26H,3-5,15-19H2,1-2H3;2H,1H3/q+1;-1