6-chloranyl-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-chloranyl-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6-chloro-2-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-chloro-2-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-2-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]chromone Formula: C19H18ClN2O3S+ MolecularWeight: 389.87582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C19H17ClN2O3S/c20-14-1-2-17-15(9-14)16(23)10-18(25-17)19(24)22-6-4-21(5-7-22)11-13-3-8-26-12-13/h1-3,8-10,12H,4-7,11H2/p+1