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

Systemtic Name: 6,7-dimethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C24H30N2O3+2 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N2O3/c1-18-14-22-20(16-24(27)29-23(22)15-19(18)2)17-26-10-8-25(9-11-26)12-13-28-21-6-4-3-5-7-21/h3-7,14-16H,8-13,17H2,1-2H3/p+2