(E)-N-[2-[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]-1-ethyl-2,6-dihydroquinolin-1-ium-6-yl]-3-phenyl-prop-2-enamide iodide

Systemtic Name: (E)-N-[2-[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]-1-ethyl-2,6-dihydroquinolin-1-ium-6-yl]-3-phenyl-prop-2-enamide iodide Openeye Name: (E)-N-[2-[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]vinyl]-1-ethyl-2,6-dihydroquinolin-1-ium-6-yl]-3-phenyl-prop-2-enamide iodide CAS Name: (E)-N-[2-[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]-1-ethyl-2,6-dihydroquinolin-1-ium-6-yl]-3-phenyl-2-propenamide iodide IUPAC Name: (E)-N-[2-[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]-1-ethyl-2,6-dihydroquinolin-1-ium-6-yl]-3-phenylprop-2-enamide iodide Traditional Name: (E)-N-[2-[(E)-2-[4-[bis(2-chloroethyl)amino]phenyl]vinyl]-1-ethyl-2,6-dihydroquinolin-1-ium-6-yl]-3-phenyl-acrylamide iodide Formula: C32H34Cl2IN3O MolecularWeight: 674.44233

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC(C=C2C=CC1C=CC3=CC=C(C=C3)N(CCCl)CCCl)NC(=O)C=CC4=CC=CC=C4.[I-]

Isomeric SMILES

CC[N+]1=C2C=CC(C=C2C=CC1/C=C/C3=CC=C(C=C3)N(CCCl)CCCl)NC(=O)/C=C/C4=CC=CC=C4.[I-]

InChI

InChI=1S/C32H33Cl2N3O.HI/c1-2-37-30(16-10-26-8-14-29(15-9-26)36(22-20-33)23-21-34)17-12-27-24-28(13-18-31(27)37)35-32(38)19-11-25-6-4-3-5-7-25;/h3-19,24,28,30H,2,20-23H2,1H3;1H/b16-10+,19-11+;