6-methoxy-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one

Systemtic Name: 6-methoxy-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one Openeye Name: 6-methoxy-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one CAS Name: 6-methoxy-3-(4-phenethyl-1-piperazin-4-iumyl)-1-benzothiopyran-4-one IUPAC Name: 6-methoxy-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one Traditional Name: 6-methoxy-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC=C(C2=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC=C(C2=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2S/c1-26-18-7-8-21-19(15-18)22(25)20(16-27-21)24-13-11-23(12-14-24)10-9-17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3/p+1