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

Systemtic Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C21H34N2O3/c1-26-20-7-8-21(25)18(13-20)15-22-10-11-23(19(16-22)9-12-24)14-17-5-3-2-4-6-17/h7-8,13,17,19,24-25H,2-6,9-12,14-16H2,1H3/p+1/t19-/m0/s1