1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)hexan-3-ol

Systemtic Name: 1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)hexan-3-ol Openeye Name: 1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)hexan-3-ol CAS Name: 1-(1-azepan-1-iumyl)-3-(4-bromophenyl)-3-hexanol IUPAC Name: 1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)hexan-3-ol Traditional Name: 1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)hexan-3-ol Formula: C18H29BrNO+ MolecularWeight: 355.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC[NH+]1CCCCCC1)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCCC(CC[NH+]1CCCCCC1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C18H28BrNO/c1-2-11-18(21,16-7-9-17(19)10-8-16)12-15-20-13-5-3-4-6-14-20/h7-10,21H,2-6,11-15H2,1H3/p+1