methyl (2R)-2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate

Systemtic Name: methyl (2R)-2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate Openeye Name: methyl (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-propanoate CAS Name: (2R)-2-methyl-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-methylpropanoate Traditional Name: (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-propionic acid methyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H24N2O2/c1-14(16(19)20-2)12-17-8-10-18(11-9-17)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/p+1/t14-/m1/s1