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

Systemtic Name: 3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one Openeye Name: 8-allyl-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-8-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-8-prop-2-enylchromen-2-one Traditional Name: 8-allyl-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]coumarin Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)CC=C)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)CC=C)OC3=O

InChI

InChI=1S/C26H28N2O4/c1-3-5-20-6-4-7-21-18-23(26(30)32-24(20)21)25(29)28-14-12-27(13-15-28)16-17-31-22-10-8-19(2)9-11-22/h3-4,6-11,18H,1,5,12-17H2,2H3/p+1