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

Systemtic Name: 4-(4-butoxyphenyl)-1-ethyl-1-(phenylmethyl)piperidin-1-ium-2-ol; propan-2-amine Openeye Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethyl-piperidin-1-ium-2-ol; propan-2-amine CAS Name: 4-(4-butoxyphenyl)-1-ethyl-1-(phenylmethyl)-2-piperidin-1-iumol; 2-propanamine IUPAC Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethylpiperidin-1-ium-2-ol; propan-2-amine Traditional Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethyl-piperidin-1-ium-2-ol; isopropylamine Formula: C27H43N2O2+ MolecularWeight: 427.64252

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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.CC(C)N

Isomeric SMILES

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

InChI

InChI=1S/C24H34NO2.C3H9N/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;1-3(2)4/h6-14,22,24,26H,3-5,15-19H2,1-2H3;3H,4H2,1-2H3/q+1;