ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate iodide

Systemtic Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate iodide Openeye Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate iodide CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid ethyl ester iodide IUPAC Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate iodide Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propionic acid ethyl ester iodide Formula: C22H28Cl2IN3O3 MolecularWeight: 580.28649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C22H27Cl2N3O3.HI/c1-3-30-22(29)20(25-21(28)18-5-4-12-26(2)16-18)15-17-6-8-19(9-7-17)27(13-10-23)14-11-24;/h4-9,12,16,20H,3,10-11,13-15H2,1-2H3;1H