1-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]naphthalen-2-ol CAS Name: 1-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]-2-naphthalenol IUPAC Name: 1-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]-2-naphthol Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC3=CC=CC=C32)O)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=C(C=CC3=CC=CC=C32)O)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O/c30-26-13-12-21-7-4-5-11-24(21)25(26)20-27-14-6-10-23(19-27)29-17-15-28(16-18-29)22-8-2-1-3-9-22/h1-5,7-9,11-13,23,30H,6,10,14-20H2/p+1/t23-/m0/s1