(2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-4-methyl-2-phenyl-pentan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-4-methyl-2-phenyl-pentan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-4-methyl-2-phenyl-pentan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-3-(4-ethylphenyl)-4-methyl-2-phenyl-3-pentanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-4-methyl-2-phenylpentan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-4-methyl-2-phenyl-pentan-3-ol Formula: C26H38NO+ MolecularWeight: 380.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@]([C@H](C[NH+]2CCCCCC2)C3=CC=CC=C3)(C(C)C)O

InChI

InChI=1S/C26H37NO/c1-4-22-14-16-24(17-15-22)26(28,21(2)3)25(23-12-8-7-9-13-23)20-27-18-10-5-6-11-19-27/h7-9,12-17,21,25,28H,4-6,10-11,18-20H2,1-3H3/p+1/t25-,26-/m1/s1