6-ethyl-4-[[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[4-[2-keto-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]piperazin-4-ium-1-yl]methyl]coumarin Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N4CCOC5=C4C=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N4CCOC5=C4C=C(C=C5)C

InChI

InChI=1S/C27H31N3O4/c1-3-20-5-7-24-22(15-20)21(16-27(32)34-24)17-28-8-10-29(11-9-28)18-26(31)30-12-13-33-25-6-4-19(2)14-23(25)30/h4-7,14-16H,3,8-13,17-18H2,1-2H3/p+1