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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-isoxazolylmethyl)-1-[(2-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=NOC=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=NOC=C3

InChI

InChI=1S/C18H25N3O2/c1-15-4-2-3-5-16(15)12-21-9-8-20(14-18(21)6-10-22)13-17-7-11-23-19-17/h2-5,7,11,18,22H,6,8-10,12-14H2,1H3/p+1/t18-/m0/s1