(3S)-1-(azepan-1-ium-1-yl)-3-phenyl-hexan-3-ol

Systemtic Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenyl-hexan-3-ol Openeye Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenyl-hexan-3-ol CAS Name: (3S)-1-(1-azepan-1-iumyl)-3-phenyl-3-hexanol IUPAC Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenylhexan-3-ol Traditional Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenyl-hexan-3-ol Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@](CC[NH+]1CCCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C18H29NO/c1-2-12-18(20,17-10-6-5-7-11-17)13-16-19-14-8-3-4-9-15-19/h5-7,10-11,20H,2-4,8-9,12-16H2,1H3/p+1/t18-/m0/s1