(3S)-1-(4-cyclopentylpiperazin-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

Systemtic Name: (3S)-1-(4-cyclopentylpiperazin-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one Openeye Name: (3S)-1-(4-cyclopentylpiperazin-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one CAS Name: (3S)-1-(4-cyclopentyl-1-piperazin-4-iumyl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone IUPAC Name: (3S)-1-(4-cyclopentylpiperazin-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one Traditional Name: (3S)-1-(4-cyclopentylpiperazin-4-ium-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)CC(C3=CC=C(C=C3)O)C4=CC=CC=C4O

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C[C@@H](C3=CC=C(C=C3)O)C4=CC=CC=C4O

InChI

InChI=1S/C24H30N2O3/c27-20-11-9-18(10-12-20)22(21-7-3-4-8-23(21)28)17-24(29)26-15-13-25(14-16-26)19-5-1-2-6-19/h3-4,7-12,19,22,27-28H,1-2,5-6,13-17H2/p+1/t22-/m0/s1