(3S)-1-(2-methoxyphenyl)-3-methyl-piperazin-4-ium-2-one

Systemtic Name: (3S)-1-(2-methoxyphenyl)-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-1-(2-methoxyphenyl)-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-1-(2-methoxyphenyl)-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-1-(2-methoxyphenyl)-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-1-(2-methoxyphenyl)-3-methyl-piperazin-4-ium-2-one Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC[NH2+]1)C2=CC=CC=C2OC

Isomeric SMILES

C[C@H]1C(=O)N(CC[NH2+]1)C2=CC=CC=C2OC

InChI

InChI=1S/C12H16N2O2/c1-9-12(15)14(8-7-13-9)10-5-3-4-6-11(10)16-2/h3-6,9,13H,7-8H2,1-2H3/p+1/t9-/m0/s1