4-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-6-methoxy-chromen-2-one

Systemtic Name: 4-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-6-methoxy-chromen-2-one Openeye Name: 4-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-6-methoxy-chromen-2-one CAS Name: 4-[(4-cyclohexyl-1-piperazin-4-iumyl)methyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-6-methoxychromen-2-one Traditional Name: 4-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-6-methoxy-coumarin Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C21H28N2O3/c1-25-18-7-8-20-19(14-18)16(13-21(24)26-20)15-22-9-11-23(12-10-22)17-5-3-2-4-6-17/h7-8,13-14,17H,2-6,9-12,15H2,1H3/p+1