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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2CC[NH+](C(C2)CCO)C3CCCC3)O

Isomeric SMILES

COC1=CC=CC(=C1CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)O

InChI

InChI=1S/C19H30N2O3/c1-24-19-8-4-7-18(23)17(19)14-20-10-11-21(15-5-2-3-6-15)16(13-20)9-12-22/h4,7-8,15-16,22-23H,2-3,5-6,9-14H2,1H3/p+1/t16-/m0/s1