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

Systemtic Name: 7-methoxy-4-methyl-6-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]chromen-2-one Openeye Name: 6-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 7-methoxy-4-methyl-6-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-methyl-6-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]chromen-2-one Traditional Name: 6-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O4/c1-20-17-27(31)33-25-19-24(32-2)22(18-23(20)25)10-11-26(30)29-15-13-28(14-16-29)12-6-9-21-7-4-3-5-8-21/h3-9,17-19H,10-16H2,1-2H3/p+1/b9-6+