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

Systemtic Name: [(3S)-3-[(6-chloranyl-2-methoxy-acridin-9-yl)-(2-methylprop-2-enoyl)amino]butyl]-diethyl-azanium Openeye Name: [(3S)-3-[(6-chloro-2-methoxy-acridin-9-yl)-(2-methylprop-2-enoyl)amino]butyl]-diethyl-ammonium CAS Name: [(3S)-3-[(6-chloro-2-methoxy-9-acridinyl)-(2-methyl-1-oxoprop-2-enyl)amino]butyl]-diethylammonium IUPAC Name: [(3S)-3-[(6-chloro-2-methoxyacridin-9-yl)-(2-methylprop-2-enoyl)amino]butyl]-diethylazanium Traditional Name: [(3S)-3-[(6-chloro-2-methoxy-acridin-9-yl)-methacryloyl-amino]butyl]-diethyl-ammonium Formula: C26H33ClN3O2+ MolecularWeight: 455.01212

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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)C(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O2/c1-7-29(8-2)14-13-18(5)30(26(31)17(3)4)25-21-11-9-19(27)15-24(21)28-23-12-10-20(32-6)16-22(23)25/h9-12,15-16,18H,3,7-8,13-14H2,1-2,4-6H3/p+1/t18-/m0/s1