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

Systemtic Name: methyl 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate Openeye Name: methyl 3-(4-benzylpiperazin-4-ium-1-yl)propanoate CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperazin-4-ium-1-yl)propanoate Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)propionic acid methyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCN1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O2/c1-19-15(18)7-8-16-9-11-17(12-10-16)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3/p+1