[4-chloranyl-1-phenyl-2-(phenylmethyl)butan-2-yl]azanium; methyl sulfate

Systemtic Name: [4-chloranyl-1-phenyl-2-(phenylmethyl)butan-2-yl]azanium; methyl sulfate Openeye Name: (1,1-dibenzyl-3-chloro-propyl)ammonium; methyl sulfate CAS Name: [4-chloro-1-phenyl-2-(phenylmethyl)butan-2-yl]ammonium; methyl sulfate IUPAC Name: (2-benzyl-4-chloro-1-phenylbutan-2-yl)azanium; methyl sulfate Traditional Name: (1,1-dibenzyl-3-chloro-propyl)ammonium; methyl sulfate Formula: C18H24ClNO4S MolecularWeight: 385.90546

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)CC(CCCl)(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)CC(CCCl)(CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H20ClN.CH4O4S/c18-12-11-17(19,13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;1-5-6(2,3)4/h1-10H,11-14,19H2;1H3,(H,2,3,4)