6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(2-thenyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C21H26N2O2S+2 MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CS4)C

InChI

InChI=1S/C21H24N2O2S/c1-15-10-19-17(12-21(24)25-20(19)11-16(15)2)13-22-5-7-23(8-6-22)14-18-4-3-9-26-18/h3-4,9-12H,5-8,13-14H2,1-2H3/p+2