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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3/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/h2-8,13,19,24-25H,9-12,14-16H2,1H3/p+1/t19-/m0/s1