7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one

Systemtic Name: 7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one Openeye Name: 7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]spiro[chromane-2,1'-cyclohexane]-4-one CAS Name: 7-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclohexane]one IUPAC Name: 7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one Traditional Name: 7-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]spiro[chroman-2,1'-cyclohexane]-4-one Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=O)CC4(O3)CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=O)CC4(O3)CCCCC4

InChI

InChI=1S/C21H28N2O4/c1-22-9-11-23(12-10-22)20(25)15-26-16-5-6-17-18(24)14-21(27-19(17)13-16)7-3-2-4-8-21/h5-6,13H,2-4,7-12,14-15H2,1H3/p+1