2-[(2S)-4-(cyclohexylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Formula: C21H43N3O+2 MolecularWeight: 353.58562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3CCCCC3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3CCCCC3

InChI

InChI=1S/C21H41N3O/c1-18(2)23-11-8-20(9-12-23)24-14-13-22(17-21(24)10-15-25)16-19-6-4-3-5-7-19/h18-21,25H,3-17H2,1-2H3/p+2/t21-/m0/s1