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

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-isoxazolylmethyl)-1-[(3-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-23-18-4-2-3-15(11-18)12-21-8-7-20(14-17(21)5-9-22)13-16-6-10-24-19-16/h2-4,6,10-11,17,22H,5,7-9,12-14H2,1H3/p+1/t17-/m0/s1