2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C23H44N5O+ MolecularWeight: 406.62836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C

InChI

InChI=1S/C23H43N5O/c1-17(2)26-10-7-21(8-11-26)27-13-12-25(15-22(27)9-14-29)16-23-19(5)24-28(18(3)4)20(23)6/h17-18,21-22,29H,7-16H2,1-6H3/p+1/t22-/m0/s1