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

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-(3-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN=CC=C3

InChI

InChI=1S/C20H27N3O2/c1-25-20-6-2-4-17(12-20)15-23-10-9-22(16-19(23)7-11-24)14-18-5-3-8-21-13-18/h2-6,8,12-13,19,24H,7,9-11,14-16H2,1H3/p+1/t19-/m0/s1