[(3S)-3-[(6-chloranyl-2-methoxy-acridin-9-yl)-(4-methylphenyl)carbonyl-amino]butyl]-diethyl-azanium

Systemtic Name: [(3S)-3-[(6-chloranyl-2-methoxy-acridin-9-yl)-(4-methylphenyl)carbonyl-amino]butyl]-diethyl-azanium Openeye Name: [(3S)-3-[(6-chloro-2-methoxy-acridin-9-yl)-(4-methylbenzoyl)amino]butyl]-diethyl-ammonium CAS Name: [(3S)-3-[(6-chloro-2-methoxy-9-acridinyl)-[(4-methylphenyl)-oxomethyl]amino]butyl]-diethylammonium IUPAC Name: [(3S)-3-[(6-chloro-2-methoxyacridin-9-yl)-(4-methylbenzoyl)amino]butyl]-diethylazanium Traditional Name: [(3S)-3-[(6-chloro-2-methoxy-acridin-9-yl)-p-toluoyl-amino]butyl]-diethyl-ammonium Formula: C30H35ClN3O2+ MolecularWeight: 505.0708

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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=C(C=C4)C

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=C(C=C4)C

InChI

InChI=1S/C30H34ClN3O2/c1-6-33(7-2)17-16-21(4)34(30(35)22-10-8-20(3)9-11-22)29-25-14-12-23(31)18-28(25)32-27-15-13-24(36-5)19-26(27)29/h8-15,18-19,21H,6-7,16-17H2,1-5H3/p+1/t21-/m0/s1