2-[(2S)-1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyridinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyridylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c23-12-8-19-16-21(14-18-7-4-9-20-13-18)10-11-22(19)15-17-5-2-1-3-6-17/h4,7,9,13,17,19,23H,1-3,5-6,8,10-12,14-16H2/p+1/t19-/m0/s1