6-chloranyl-7-methyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-7-methyl-coumarin Formula: C24H26ClN2O2+ MolecularWeight: 409.92844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CC[NH+](CC3)CC=CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN2O2/c1-18-14-23-21(16-22(18)25)20(15-24(28)29-23)17-27-12-10-26(11-13-27)9-5-8-19-6-3-2-4-7-19/h2-8,14-16H,9-13,17H2,1H3/p+1/b8-5+