bis(2-chloroethyl)-(3-phenylazanylpropyl)-(phenylmethyl)azanium chloride

Systemtic Name: bis(2-chloroethyl)-(3-phenylazanylpropyl)-(phenylmethyl)azanium chloride Openeye Name: 3-anilinopropyl-benzyl-bis(2-chloroethyl)ammonium chloride CAS Name: 3-anilinopropyl-bis(2-chloroethyl)-(phenylmethyl)ammonium chloride IUPAC Name: 3-anilinopropyl-benzyl-bis(2-chloroethyl)azanium chloride Traditional Name: 3-anilinopropyl-benzyl-bis(2-chloroethyl)ammonium chloride Formula: C20H27Cl3N2 MolecularWeight: 401.80078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](CCCNC2=CC=CC=C2)(CCCl)CCCl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+](CCCNC2=CC=CC=C2)(CCCl)CCCl.[Cl-]

InChI

InChI=1S/C20H27Cl2N2.ClH/c21-12-16-24(17-13-22,18-19-8-3-1-4-9-19)15-7-14-23-20-10-5-2-6-11-20;/h1-6,8-11,23H,7,12-18H2;1H/q+1;/p-1