1-(3-oxidanylazocan-1-yl)-1-(phenylmethyl)azocan-1-ium-3-ol

Systemtic Name: 1-(3-oxidanylazocan-1-yl)-1-(phenylmethyl)azocan-1-ium-3-ol Openeye Name: 1-benzyl-1-(3-hydroxyazocan-1-yl)azocan-1-ium-3-ol CAS Name: 1-(3-hydroxy-1-azocanyl)-1-(phenylmethyl)-3-azocan-1-iumol IUPAC Name: 1-benzyl-1-(3-hydroxyazocan-1-yl)azocan-1-ium-3-ol Traditional Name: 1-benzyl-1-(3-hydroxyazocan-1-yl)azocan-1-ium-3-ol Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CN(CC1)[N+]2(CCCCCC(C2)O)CC3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CN(CC1)[N+]2(CCCCCC(C2)O)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H35N2O2/c24-20-12-6-2-8-14-22(16-20)23(17-19-10-4-1-5-11-19)15-9-3-7-13-21(25)18-23/h1,4-5,10-11,20-21,24-25H,2-3,6-9,12-18H2/q+1