3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one Openeye Name: 8-allyl-3-(4-benzylpiperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-8-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-8-prop-2-enylchromen-2-one Traditional Name: 8-allyl-3-(4-benzylpiperazin-4-ium-1-carbonyl)coumarin Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3/c1-2-7-19-10-6-11-20-16-21(24(28)29-22(19)20)23(27)26-14-12-25(13-15-26)17-18-8-4-3-5-9-18/h2-6,8-11,16H,1,7,12-15,17H2/p+1