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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(isoxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(3-isoxazolylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(isoxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=NOC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=NOC=C3

InChI

InChI=1S/C19H27N3O3/c1-2-24-19-5-3-16(4-6-19)13-22-10-9-21(15-18(22)7-11-23)14-17-8-12-25-20-17/h3-6,8,12,18,23H,2,7,9-11,13-15H2,1H3/p+1/t18-/m0/s1