6-methyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-methyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6-methyl-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-methyl-2-[oxo-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-methyl-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C22H23N3O3/c1-16-2-3-20-18(14-16)19(26)15-21(28-20)22(27)25-12-10-24(11-13-25)9-6-17-4-7-23-8-5-17/h2-5,7-8,14-15H,6,9-13H2,1H3/p+1