methyl (2R)-2-methyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoate

Systemtic Name: methyl (2R)-2-methyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoate Openeye Name: methyl (2R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-methyl-propanoate CAS Name: (2R)-2-methyl-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-methylpropanoate Traditional Name: (2R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-methyl-propionic acid methyl ester Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@H](C[NH+]1CC[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+2/t14-/m1/s1