3-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-methyl-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-methyl-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-methyl-chromen-2-one CAS Name: 3-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-7-hydroxy-4-methyl-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-methylchromen-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-methyl-coumarin Formula: C25H34N3O5+ MolecularWeight: 456.55456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5/c1-18-20-7-6-19(29)16-22(20)33-25(32)21(18)8-9-23(30)28-14-12-26(13-15-28)17-24(31)27-10-4-2-3-5-11-27/h6-7,16,29H,2-5,8-15,17H2,1H3/p+1