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

Systemtic Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxy-phenol Openeye Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxy-phenol CAS Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-2-ethoxyphenol IUPAC Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxyphenol Traditional Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxy-phenol Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)O

InChI

InChI=1S/C20H32N2O3/c1-2-25-20-13-16(7-8-19(20)24)14-21-10-11-22(17-5-3-4-6-17)18(15-21)9-12-23/h7-8,13,17-18,23-24H,2-6,9-12,14-15H2,1H3/p+1/t18-/m0/s1