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

Systemtic Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenyl-pentan-3-ol Openeye Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenyl-pentan-3-ol CAS Name: (3S)-1-(1-azepan-1-iumyl)-3-phenyl-3-pentanol IUPAC Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenylpentan-3-ol Traditional Name: (3S)-1-(azepan-1-ium-1-yl)-3-phenyl-pentan-3-ol Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO/c1-2-17(19,16-10-6-5-7-11-16)12-15-18-13-8-3-4-9-14-18/h5-7,10-11,19H,2-4,8-9,12-15H2,1H3/p+1/t17-/m0/s1