2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C22H35N3O3/c1-17(2)24-9-6-19(7-10-24)25-12-11-23(15-20(25)8-13-26)14-18-4-3-5-21-22(18)28-16-27-21/h3-5,17,19-20,26H,6-16H2,1-2H3/p+1/t20-/m0/s1