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

Systemtic Name: bis(2-chloroethyl)-(3-phenylazanylpropyl)-(phenylmethyl)azanium Openeye Name: 3-anilinopropyl-benzyl-bis(2-chloroethyl)ammonium CAS Name: 3-anilinopropyl-bis(2-chloroethyl)-(phenylmethyl)ammonium IUPAC Name: 3-anilinopropyl-benzyl-bis(2-chloroethyl)azanium Traditional Name: 3-anilinopropyl-benzyl-bis(2-chloroethyl)ammonium Formula: C20H27Cl2N2+ MolecularWeight: 366.34778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27Cl2N2/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/q+1