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

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[[2-(1-naphthalenyl)-5-pyrimidinyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CN=C(N=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CN=C(N=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H35N5O/c1-30-12-9-23(10-13-30)32-15-14-31(20-24(32)11-16-33)19-21-17-28-27(29-18-21)26-8-4-6-22-5-2-3-7-25(22)26/h2-8,17-18,23-24,33H,9-16,19-20H2,1H3/p+1/t24-/m0/s1