5-[3-[3-[[4-[2-chloroethyl(methyl)amino]phenyl]methylamino]propyl-dimethyl-azaniumyl]propylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[3-[3-[[4-[2-chloroethyl(methyl)amino]phenyl]methylamino]propyl-dimethyl-azaniumyl]propylamino]-5-oxidanylidene-pentanoate Openeye Name: 5-[3-[3-[[4-[2-chloroethyl(methyl)amino]phenyl]methylamino]propyl-dimethyl-ammonio]propylamino]-5-oxo-pentanoate CAS Name: 5-[3-[3-[[4-[2-chloroethyl(methyl)amino]phenyl]methylamino]propyl-dimethylammonio]propylamino]-5-oxopentanoate IUPAC Name: 5-[3-[3-[[4-[2-chloroethyl(methyl)amino]phenyl]methylamino]propyl-dimethylazaniumyl]propylamino]-5-oxopentanoate Traditional Name: 5-[3-[3-[[4-[2-chloroethyl(methyl)amino]benzyl]amino]propyl-dimethyl-ammonio]propylamino]-5-keto-valerate Formula: C23H39ClN4O3 MolecularWeight: 455.03376

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCl)C1=CC=C(C=C1)CNCCC[N+](C)(C)CCCNC(=O)CCCC(=O)[O-]

Isomeric SMILES

CN(CCCl)C1=CC=C(C=C1)CNCCC[N+](C)(C)CCCNC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C23H39ClN4O3/c1-27(16-13-24)21-11-9-20(10-12-21)19-25-14-5-17-28(2,3)18-6-15-26-22(29)7-4-8-23(30)31/h9-12,25H,4-8,13-19H2,1-3H3,(H-,26,29,30,31)