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

Systemtic Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)-1-piperazin-4-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](C(C2)CCO)CCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C23H32N2O3/c1-28-23-10-9-20(16-22(23)27)17-24-13-14-25(21(18-24)11-15-26)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,21,26-27H,5,8,11-15,17-18H2,1H3/p+1/t21-/m0/s1