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

Systemtic Name: 2-[(2S)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H42N5O+ MolecularWeight: 392.60178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C

InChI

InChI=1S/C22H41N5O/c1-5-9-26-16-20(19(4)23-26)15-24-12-13-27(22(17-24)8-14-28)21-6-10-25(11-7-21)18(2)3/h16,18,21-22,28H,5-15,17H2,1-4H3/p+1/t22-/m0/s1