3-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4,8-dimethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4,8-dimethyl-7-oxidanyl-chromen-2-one Openeye Name: 3-[3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-7-hydroxy-4,8-dimethyl-chromen-2-one CAS Name: 3-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-7-hydroxy-4,8-dimethylchromen-2-one Traditional Name: 3-[3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-7-hydroxy-4,8-dimethyl-coumarin Formula: C26H36N3O5+ MolecularWeight: 470.58114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O5/c1-18-20-7-9-22(30)19(2)25(20)34-26(33)21(18)8-10-23(31)29-15-13-27(14-16-29)17-24(32)28-11-5-3-4-6-12-28/h7,9,30H,3-6,8,10-17H2,1-2H3/p+1