4-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=C(C(=O)OC4=CC=CC=C43)C[NH+]5CCCC5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=C(C(=O)OC4=CC=CC=C43)C[NH+]5CCCC5

InChI

InChI=1S/C24H33N3O2/c28-24-21(18-25-12-6-7-13-25)23(20-10-4-5-11-22(20)29-24)27-16-14-26(15-17-27)19-8-2-1-3-9-19/h4-5,10-11,19H,1-3,6-9,12-18H2/p+2