5,7,8-trimethyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 5,7,8-trimethyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5,7,8-trimethyl-chromen-2-one CAS Name: 5,7,8-trimethyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5,7,8-trimethylchromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5,7,8-trimethyl-coumarin Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C24H28N2O2/c1-17-13-18(2)23-21(14-22(27)28-24(23)19(17)3)16-26-11-9-25(10-12-26)15-20-7-5-4-6-8-20/h4-8,13-14H,9-12,15-16H2,1-3H3/p+1