2-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidin-1-iumyl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Formula: C19H37N5O+2 MolecularWeight: 351.52998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCN(C(C2)CCO)C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCN([C@H](C2)CCO)C3CC[NH+](CC3)C

InChI

InChI=1S/C19H35N5O/c1-15(2)19-12-16(20-21-19)13-23-9-10-24(18(14-23)6-11-25)17-4-7-22(3)8-5-17/h12,15,17-18,25H,4-11,13-14H2,1-3H3,(H,20,21)/p+2/t18-/m0/s1