2-chloroethyl-methyl-bis(phenylmethyl)azanium; methyl sulfate

Systemtic Name: 2-chloroethyl-methyl-bis(phenylmethyl)azanium; methyl sulfate Openeye Name: dibenzyl-(2-chloroethyl)-methyl-ammonium; methyl sulfate CAS Name: 2-chloroethyl-methyl-bis(phenylmethyl)ammonium; methyl sulfate IUPAC Name: dibenzyl-(2-chloroethyl)-methylazanium; methyl sulfate Traditional Name: dibenzyl-(2-chloroethyl)-methyl-ammonium; methyl sulfate Formula: C18H24ClNO4S MolecularWeight: 385.90546

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCCl)(CC1=CC=CC=C1)CC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](CCCl)(CC1=CC=CC=C1)CC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H21ClN.CH4O4S/c1-19(13-12-18,14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-5-6(2,3)4/h2-11H,12-15H2,1H3;1H3,(H,2,3,4)/q+1;/p-1