4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(dioctylamino)methyl]phenol hydrochloride

Systemtic Name: 4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(dioctylamino)methyl]phenol hydrochloride Openeye Name: 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-[(dioctylamino)methyl]phenol hydrochloride CAS Name: 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-[(dioctylamino)methyl]phenol hydrochloride IUPAC Name: 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-[(dioctylamino)methyl]phenol hydrochloride Traditional Name: 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-[(dioctylamino)methyl]phenol hydrochloride Formula: C37H51Cl2N3O2 MolecularWeight: 640.72574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC1=C(C=CC(=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O.Cl

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC1=C(C=CC(=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O.Cl

InChI

InChI=1S/C37H50ClN3O2.ClH/c1-4-6-8-10-12-14-22-41(23-15-13-11-9-7-5-2)27-28-24-30(17-21-36(28)42)39-37-32-19-16-29(38)25-35(32)40-34-20-18-31(43-3)26-33(34)37;/h16-21,24-26,42H,4-15,22-23,27H2,1-3H3,(H,39,40);1H