methyl (2S)-3-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(4-methylpiperazin-4-ium-1-carbonyl)amino]butyric acid methyl ester Formula: C12H24N3O3+ MolecularWeight: 258.33726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CC[NH+](CC1)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CC[NH+](CC1)C

InChI

InChI=1S/C12H23N3O3/c1-9(2)10(11(16)18-4)13-12(17)15-7-5-14(3)6-8-15/h9-10H,5-8H2,1-4H3,(H,13,17)/p+1/t10-/m0/s1