2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-isopentyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-benzofuranylmethyl)-1-(3-methylbutyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(3-methylbutyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofuran-2-ylmethyl)-1-isoamyl-piperazin-4-ium-2-yl]ethanol Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC[NH+](CC1CCO)CC2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CCN1CC[NH+](C[C@@H]1CCO)CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H30N2O2/c1-16(2)7-9-22-11-10-21(14-18(22)8-12-23)15-19-13-17-5-3-4-6-20(17)24-19/h3-6,13,16,18,23H,7-12,14-15H2,1-2H3/p+1/t18-/m0/s1