3-methyl-2-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-one

Systemtic Name: 3-methyl-2-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 3-methyl-2-(4-phenethylpiperazin-4-ium-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-methyl-2-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 3-methyl-2-(4-phenethylpiperazin-4-ium-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 3-methyl-2-(4-phenethylpiperazin-4-ium-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3/c1-16-20-18(25)8-5-9-19(20)27-21(16)22(26)24-14-12-23(13-15-24)11-10-17-6-3-2-4-7-17/h2-4,6-7H,5,8-15H2,1H3/p+1