[3-azanyl-4-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [3-azanyl-4-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [3-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxo-butyl]-trimethyl-ammonium CAS Name: [3-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxobutyl]-trimethylammonium IUPAC Name: [3-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxobutyl]-trimethylazanium Traditional Name: [3-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]-2-keto-butyl]-trimethyl-ammonium Formula: C17H28Cl2N3O+ MolecularWeight: 361.32972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28Cl2N3O/c1-22(2,3)13-17(23)16(20)12-14-4-6-15(7-5-14)21(10-8-18)11-9-19/h4-7,16H,8-13,20H2,1-3H3/q+1