(2S)-1-(azepan-1-ium-1-yl)-2-(4-propan-2-ylphenyl)propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-propan-2-ylphenyl)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-isopropylphenyl)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-2-(4-propan-2-ylphenyl)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-propan-2-ylphenyl)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-2-p-cumenyl-propan-2-ol Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO/c1-15(2)16-8-10-17(11-9-16)18(3,20)14-19-12-6-4-5-7-13-19/h8-11,15,20H,4-7,12-14H2,1-3H3/p+1/t18-/m1/s1