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

Systemtic Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-isobutyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-isobutyl-piperazin-4-ium-2-yl]ethanol Formula: C18H35N4O+ MolecularWeight: 323.4967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34N4O/c1-4-5-6-18-19-11-16(20-18)13-21-8-9-22(12-15(2)3)17(14-21)7-10-23/h11,15,17,23H,4-10,12-14H2,1-3H3,(H,19,20)/p+1/t17-/m0/s1