ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[4-[bis(2-chloroethyl)amino]benzyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23Cl2N2O2+ MolecularWeight: 382.30412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C19H23Cl2N2O2/c1-2-25-19(24)17-7-11-22(12-8-17)15-16-3-5-18(6-4-16)23(13-9-20)14-10-21/h3-8,11-12H,2,9-10,13-15H2,1H3/q+1