2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-isopropyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-isopropyl-piperazin-4-ium-2-yl]ethanol Formula: C17H33N4O+ MolecularWeight: 309.47012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCN(C(C2)CCO)C(C)C

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCN([C@H](C2)CCO)C(C)C

InChI

InChI=1S/C17H32N4O/c1-4-5-6-17-18-11-15(19-17)12-20-8-9-21(14(2)3)16(13-20)7-10-22/h11,14,16,22H,4-10,12-13H2,1-3H3,(H,18,19)/p+1/t16-/m0/s1