N,N-bis(2-chloroethyl)-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide

Systemtic Name: N,N-bis(2-chloroethyl)-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide Openeye Name: N,N-bis(2-chloroethyl)-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]aniline iodide CAS Name: N,N-bis(2-chloroethyl)-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide IUPAC Name: N,N-bis(2-chloroethyl)-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide Traditional Name: bis(2-chloroethyl)-[4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]phenyl]amine iodide Formula: C20H21Cl2IN2O MolecularWeight: 503.20401

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]

Isomeric SMILES

C[N+]1=C(OC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]

InChI

InChI=1S/C20H21Cl2N2O.HI/c1-23-18-4-2-3-5-19(18)25-20(23)11-8-16-6-9-17(10-7-16)24(14-12-21)15-13-22;/h2-11H,12-15H2,1H3;1H/q+1;/p-1