2-[(2S)-1-methyl-4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[2-(1-naphthalenyl)-5-pyrimidinyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1CCO)CC2=CN=C(N=C2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1CC[NH+](C[C@@H]1CCO)CC2=CN=C(N=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O/c1-25-10-11-26(16-19(25)9-12-27)15-17-13-23-22(24-14-17)21-8-4-6-18-5-2-3-7-20(18)21/h2-8,13-14,19,27H,9-12,15-16H2,1H3/p+1/t19-/m0/s1