azanium 3-chloranyl-4-decyl-3-(phenylmethyl)hexane-1,6-diol

Systemtic Name: azanium 3-chloranyl-4-decyl-3-(phenylmethyl)hexane-1,6-diol Openeye Name: ammonium 3-benzyl-3-chloro-4-decyl-hexane-1,6-diol CAS Name: ammonium 3-chloro-4-decyl-3-(phenylmethyl)hexane-1,6-diol IUPAC Name: azanium 3-benzyl-3-chloro-4-decylhexane-1,6-diol Traditional Name: ammonium 3-benzyl-3-chloro-4-decyl-hexane-1,6-diol Formula: C23H43ClNO2+ MolecularWeight: 401.04602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCO)C(CCO)(CC1=CC=CC=C1)Cl.[NH4+]

Isomeric SMILES

CCCCCCCCCCC(CCO)C(CCO)(CC1=CC=CC=C1)Cl.[NH4+]

InChI

InChI=1S/C23H39ClO2.H3N/c1-2-3-4-5-6-7-8-12-15-22(16-18-25)23(24,17-19-26)20-21-13-10-9-11-14-21;/h9-11,13-14,22,25-26H,2-8,12,15-20H2,1H3;1H3/p+1