4-(4-butoxyphenyl)-1-ethyl-1-(phenylmethyl)piperidin-1-ium-2-ol; methanamine

Systemtic Name: 4-(4-butoxyphenyl)-1-ethyl-1-(phenylmethyl)piperidin-1-ium-2-ol; methanamine Openeye Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethyl-piperidin-1-ium-2-ol; methanamine CAS Name: 4-(4-butoxyphenyl)-1-ethyl-1-(phenylmethyl)-2-piperidin-1-iumol; methanamine IUPAC Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethylpiperidin-1-ium-2-ol; methanamine Traditional Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethyl-piperidin-1-ium-2-ol; methylamine Formula: C25H39N2O2+ MolecularWeight: 399.58936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34NO2.CH5N/c1-3-5-17-27-23-13-11-21(12-14-23)22-15-16-25(4-2,24(26)18-22)19-20-9-7-6-8-10-20;1-2/h6-14,22,24,26H,3-5,15-19H2,1-2H3;2H2,1H3/q+1;