2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-ethyl-2-furyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-ethyl-2-furanyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-ethyl-2-furyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C21H38N3O2+ MolecularWeight: 364.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCN(C(C2)CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCN([C@H](C2)CCO)C3CCN(CC3)C(C)C

InChI

InChI=1S/C21H37N3O2/c1-4-20-5-6-21(26-20)16-22-12-13-24(19(15-22)9-14-25)18-7-10-23(11-8-18)17(2)3/h5-6,17-19,25H,4,7-16H2,1-3H3/p+1/t19-/m0/s1