7,8-dimethyl-2-[[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]chromen-4-one

Systemtic Name: 7,8-dimethyl-2-[[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]chromen-4-one Openeye Name: 7,8-dimethyl-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carbonyl]chromen-4-one CAS Name: 7,8-dimethyl-2-[oxo-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-yl]methyl]-1-benzopyran-4-one IUPAC Name: 7,8-dimethyl-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbonyl]chromen-4-one Traditional Name: 7,8-dimethyl-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carbonyl]chromone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)N3CCC[NH+](CC3)CCC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)N3CCC[NH+](CC3)CCC4=CC=NC=C4)C

InChI

InChI=1S/C24H27N3O3/c1-17-4-5-20-21(28)16-22(30-23(20)18(17)2)24(29)27-12-3-11-26(14-15-27)13-8-19-6-9-25-10-7-19/h4-7,9-10,16H,3,8,11-15H2,1-2H3/p+1