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

Systemtic Name: (1S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-pyridin-3-yl-ethanol Openeye Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(3-pyridyl)ethanol CAS Name: (1S)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-(3-pyridinyl)ethanol IUPAC Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-3-ylethanol Traditional Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(3-pyridyl)ethanol Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(C3=CN=CC=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](C3=CN=CC=C3)O

InChI

InChI=1S/C18H23N3O/c22-18(17-7-4-8-19-13-17)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13,18,22H,9-12,14-15H2/p+1/t18-/m1/s1