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

Systemtic Name: 6-chloranyl-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one Openeye Name: 6-chloro-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one CAS Name: 6-chloro-3-(4-phenethyl-1-piperazin-4-iumyl)-1-benzothiopyran-4-one IUPAC Name: 6-chloro-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one Traditional Name: 6-chloro-3-(4-phenethylpiperazin-4-ium-1-yl)thiochromen-4-one Formula: C21H22ClN2OS+ MolecularWeight: 385.93018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2OS/c22-17-6-7-20-18(14-17)21(25)19(15-26-20)24-12-10-23(11-13-24)9-8-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2/p+1