2-[(2S)-4-(oxan-4-yl)-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(oxan-4-yl)-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-tetrahydropyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(4-oxanyl)-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-(oxan-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-tetrahydropyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

C1COCCC1[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2O2/c21-11-6-18-15-20(17-7-12-22-13-8-17)10-9-19(18)14-16-4-2-1-3-5-16/h1-5,17-18,21H,6-15H2/p+1/t18-/m0/s1