3-[4-[4-[bis(2-chloranylethyl)amino]phenyl]butanoylamino]propyl-trimethyl-azanium

Systemtic Name: 3-[4-[4-[bis(2-chloranylethyl)amino]phenyl]butanoylamino]propyl-trimethyl-azanium Openeye Name: 3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]propyl-trimethyl-ammonium CAS Name: 3-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]amino]propyl-trimethylammonium IUPAC Name: 3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]propyl-trimethylazanium Traditional Name: 3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]propyl-trimethyl-ammonium Formula: C20H34Cl2N3O+ MolecularWeight: 407.380079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

C[N+](C)(C)CCCNC(=O)CCCC1=CC=C(C=C1)N([13CH2][13CH2]Cl)[13CH2][13CH2]Cl

InChI

InChI=1S/C20H33Cl2N3O/c1-25(2,3)17-5-14-23-20(26)7-4-6-18-8-10-19(11-9-18)24(15-12-21)16-13-22/h8-11H,4-7,12-17H2,1-3H3/p+1/i12+1,13+1,15+1,16+1