6,7-dimethoxy-4-methyl-3-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 6,7-dimethoxy-4-methyl-3-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 3-[2-keto-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-6,7-dimethoxy-4-methyl-coumarin Formula: C25H30N3O5+ MolecularWeight: 452.5228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C25H29N3O5/c1-17-19-14-22(31-2)23(32-3)16-21(19)33-25(30)20(17)15-24(29)28-12-10-27(11-13-28)9-6-18-4-7-26-8-5-18/h4-5,7-8,14,16H,6,9-13,15H2,1-3H3/p+1