2-[(2S)-1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H34N2O3/c25-11-8-20-17-23(9-10-24(20)16-18-4-2-1-3-5-18)15-19-6-7-21-22(14-19)27-13-12-26-21/h6-7,14,18,20,25H,1-5,8-13,15-17H2/p+1/t20-/m0/s1