6-chloranyl-4-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-methyl-coumarin Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C23H26ClN3O2/c1-3-26-8-10-27(11-9-26)19-6-4-18(5-7-19)25-15-17-13-23(28)29-22-12-16(2)21(24)14-20(17)22/h4-7,12-14,25H,3,8-11,15H2,1-2H3/p+1