3-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-7-methoxy-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)OC)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5/c1-18-20-8-7-19(32-2)15-22(20)33-25(31)21(18)16-23(29)28-13-11-26(12-14-28)17-24(30)27-9-5-3-4-6-10-27/h7-8,15H,3-6,9-14,16-17H2,1-2H3/p+1