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

Systemtic Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-naphthol Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CC=CC=C2)CCO)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CC=CC=C2)CCO)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C24H28N2O2/c27-15-12-21-17-25(13-14-26(21)16-19-6-2-1-3-7-19)18-23-22-9-5-4-8-20(22)10-11-24(23)28/h1-11,21,27-28H,12-18H2/p+1/t21-/m0/s1