2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C21H40N5O+ MolecularWeight: 378.5752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C)C

InChI

InChI=1S/C21H39N5O/c1-5-26-18(4)19(14-22-26)15-23-11-12-25(21(16-23)8-13-27)20-6-9-24(10-7-20)17(2)3/h14,17,20-21,27H,5-13,15-16H2,1-4H3/p+1/t21-/m0/s1