[(3S)-3-[(6-chloranyl-2-methoxy-acridin-9-yl)-(phenylcarbonyl)amino]butyl]-diethyl-azanium

Systemtic Name: [(3S)-3-[(6-chloranyl-2-methoxy-acridin-9-yl)-(phenylcarbonyl)amino]butyl]-diethyl-azanium Openeye Name: [(3S)-3-[benzoyl-(6-chloro-2-methoxy-acridin-9-yl)amino]butyl]-diethyl-ammonium CAS Name: [(3S)-3-[benzoyl-(6-chloro-2-methoxy-9-acridinyl)amino]butyl]-diethylammonium IUPAC Name: [(3S)-3-[benzoyl-(6-chloro-2-methoxyacridin-9-yl)amino]butyl]-diethylazanium Traditional Name: [(3S)-3-[benzoyl-(6-chloro-2-methoxy-acridin-9-yl)amino]butyl]-diethyl-ammonium Formula: C29H33ClN3O2+ MolecularWeight: 491.04422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(C)N(C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CC[C@H](C)N(C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32ClN3O2/c1-5-32(6-2)17-16-20(3)33(29(34)21-10-8-7-9-11-21)28-24-14-12-22(30)18-27(24)31-26-15-13-23(35-4)19-25(26)28/h7-15,18-20H,5-6,16-17H2,1-4H3/p+1/t20-/m0/s1