2-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)O

InChI

InChI=1S/C19H30N2O3/c1-24-18-7-6-15(19(23)12-18)13-20-9-10-21(16-4-2-3-5-16)17(14-20)8-11-22/h6-7,12,16-17,22-23H,2-5,8-11,13-14H2,1H3/p+1/t17-/m0/s1