1-(3-methylphenyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(3-methylphenyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(m-tolyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium CAS Name: 1-(3-methylphenyl)-4-[[(2S)-2-oxiranyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-methylphenyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(m-tolyl)-4-[[(2S)-oxiran-2-yl]methyl]piperazin-4-ium Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3CO3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)C[C@H]3CO3

InChI

InChI=1S/C14H20N2O/c1-12-3-2-4-13(9-12)16-7-5-15(6-8-16)10-14-11-17-14/h2-4,9,14H,5-8,10-11H2,1H3/p+1/t14-/m0/s1