3,6-bis(2-diethylaminoethyloxy)acridine-4,5-diamine chloride hydrate

Systemtic Name: 3,6-bis(2-diethylaminoethyloxy)acridine-4,5-diamine chloride hydrate Openeye Name: 3,6-bis(2-diethylaminoethyloxy)acridine-4,5-diamine chloride hydrate CAS Name: 3,6-bis(2-diethylaminoethyloxy)acridine-4,5-diamine chloride hydrate IUPAC Name: 3,6-bis(2-diethylaminoethyloxy)acridine-4,5-diamine chloride hydrate Traditional Name: 2-[4,5-diamino-6-(2-diethylaminoethyloxy)acridin-3-yl]oxyethyl-diethyl-amine chloride hydrate Formula: C25H39ClN5O3- MolecularWeight: 493.06186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C2=NC3=C(C=CC(=C3N)OCCN(CC)CC)C=C2C=C1)N.O.[Cl-]

Isomeric SMILES

CCN(CC)CCOC1=C(C2=NC3=C(C=CC(=C3N)OCCN(CC)CC)C=C2C=C1)N.O.[Cl-]

InChI

InChI=1S/C25H37N5O2.ClH.H2O/c1-5-29(6-2)13-15-31-20-11-9-18-17-19-10-12-21(32-16-14-30(7-3)8-4)23(27)25(19)28-24(18)22(20)26;;/h9-12,17H,5-8,13-16,26-27H2,1-4H3;1H;1H2/p-1