2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-isopentyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-isoamyl-piperazin-4-ium-2-yl]ethanol Formula: C19H37N4O+ MolecularWeight: 337.52328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36N4O/c1-4-5-6-19-20-13-17(21-19)14-22-10-11-23(9-7-16(2)3)18(15-22)8-12-24/h13,16,18,24H,4-12,14-15H2,1-3H3,(H,20,21)/p+1/t18-/m0/s1