6-chloranyl-3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C22H30ClN2O3+ MolecularWeight: 405.9382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC[NH+](CC2CCO)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C22H29ClN2O3/c23-17-6-7-21-20(12-17)22(27)16(15-28-21)13-24-9-10-25(19(14-24)8-11-26)18-4-2-1-3-5-18/h6-7,12,15,18-19,26H,1-5,8-11,13-14H2/p+1/t19-/m0/s1