N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]acridin-9-amine hydrochloride

Systemtic Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]acridin-9-amine hydrochloride Openeye Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]acridin-9-amine hydrochloride CAS Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-9-acridinamine hydrochloride IUPAC Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]acridin-9-amine hydrochloride Traditional Name: [5-(acridin-9-ylamino)-2-methoxy-benzyl]-bis(2-chloroethyl)amine hydrochloride Formula: C25H26Cl3N3O MolecularWeight: 490.85244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CN(CCCl)CCCl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C25H25Cl2N3O.ClH/c1-31-24-11-10-19(16-18(24)17-30(14-12-26)15-13-27)28-25-20-6-2-4-8-22(20)29-23-9-5-3-7-21(23)25;/h2-11,16H,12-15,17H2,1H3,(H,28,29);1H