3-methyl-2-phenyl-8-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 3-methyl-2-phenyl-8-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 3-methyl-2-phenyl-8-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 3-methyl-8-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-1-benzopyran-4-one IUPAC Name: 3-methyl-2-phenyl-8-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 3-methyl-2-phenyl-8-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]chromone Formula: C26H25N2O3S+ MolecularWeight: 445.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O3S/c1-18-23(29)21-10-5-11-22(25(21)31-24(18)19-7-3-2-4-8-19)26(30)28-14-12-27(13-15-28)17-20-9-6-16-32-20/h2-11,16H,12-15,17H2,1H3/p+1