2-[(2S)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C21H34N5O+ MolecularWeight: 372.52756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC(=N3)C

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC(=N3)C

InChI

InChI=1S/C21H33N5O/c1-4-9-26-14-19(18(3)23-26)13-24-10-11-25(21(16-24)8-12-27)15-20-7-5-6-17(2)22-20/h5-7,14,21,27H,4,8-13,15-16H2,1-3H3/p+1/t21-/m0/s1