10-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethyl]acridin-9-one

Systemtic Name: 10-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethyl]acridin-9-one Openeye Name: 10-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxo-ethyl]acridin-9-one CAS Name: 10-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]-9-acridinone IUPAC Name: 10-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethyl]acridin-9-one Traditional Name: 10-[2-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]-2-keto-ethyl]acridin-9-one Formula: C27H27ClN3O2+ MolecularWeight: 460.97518

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3O2/c28-21-12-10-20(11-13-21)18-29-14-5-15-30(17-16-29)26(32)19-31-24-8-3-1-6-22(24)27(33)23-7-2-4-9-25(23)31/h1-4,6-13H,5,14-19H2/p+1