2-azanylpropanoyl-bis(2-chloroethyl)-(2-methylphenyl)azanium hydrochloride

Systemtic Name: 2-azanylpropanoyl-bis(2-chloroethyl)-(2-methylphenyl)azanium hydrochloride Openeye Name: 2-aminopropanoyl-bis(2-chloroethyl)-(o-tolyl)ammonium hydrochloride CAS Name: (2-amino-1-oxopropyl)-bis(2-chloroethyl)-(2-methylphenyl)ammonium hydrochloride IUPAC Name: 2-aminopropanoyl-bis(2-chloroethyl)-(2-methylphenyl)azanium hydrochloride Traditional Name: alanyl-bis(2-chloroethyl)-(o-tolyl)ammonium hydrochloride Formula: C14H22Cl3N2O+ MolecularWeight: 340.69628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+](CCCl)(CCCl)C(=O)C(C)N.Cl

Isomeric SMILES

CC1=CC=CC=C1[N+](CCCl)(CCCl)C(=O)C(C)N.Cl

InChI

InChI=1S/C14H21Cl2N2O.ClH/c1-11-5-3-4-6-13(11)18(9-7-15,10-8-16)14(19)12(2)17;/h3-6,12H,7-10,17H2,1-2H3;1H/q+1;