5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methyl-pyridin-3-ol hydrochloride

Systemtic Name: 5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methyl-pyridin-3-ol hydrochloride Openeye Name: 5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methyl-pyridin-3-ol hydrochloride CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methyl-3-pyridinol hydrochloride IUPAC Name: 5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methylpyridin-3-ol hydrochloride Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-4-(methoxymethyl)-2-methyl-pyridin-3-ol hydrochloride Formula: C13H21Cl3N2O2 MolecularWeight: 343.67704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)COC)CN(CCCl)CCCl.Cl

Isomeric SMILES

CC1=NC=C(C(=C1O)COC)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C13H20Cl2N2O2.ClH/c1-10-13(18)12(9-19-2)11(7-16-10)8-17(5-3-14)6-4-15;/h7,18H,3-6,8-9H2,1-2H3;1H