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

Systemtic Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)-1-piperazin-4-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]-2-naphthol Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C26H32N2O2/c29-18-14-23-19-27(16-17-28(23)15-6-9-21-7-2-1-3-8-21)20-25-24-11-5-4-10-22(24)12-13-26(25)30/h1-5,7-8,10-13,23,29-30H,6,9,14-20H2/p+1/t23-/m0/s1