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3-oxidanylidene-2-[2-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]butanoic acid

3-oxidanylidene-2-[2-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]butanoic acid

Systemtic Name:3-oxidanylidene-2-[2-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]butanoic acid
Openeye Name:2-[2-(1-benzylpiperazin-1-ium-1-yl)ethyl]-3-oxo-butanoic acid
CAS Name:3-oxo-2-[2-[1-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]butanoic acid
IUPAC Name:2-[2-(1-benzylpiperazin-1-ium-1-yl)ethyl]-3-oxobutanoic acid
Traditional Name:2-[2-(1-benzylpiperazin-1-ium-1-yl)ethyl]-3-keto-butyric acid
Formula: C17H25N2O3+
MolecularWeight: 305.392
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC[N+]1(CCNCC1)CC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CC(=O)C(CC[N+]1(CCNCC1)CC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C17H24N2O3/c1-14(20)16(17(21)22)7-10-19(11-8-18-9-12-19)13-15-5-3-2-4-6-15/h2-6,16,18H,7-13H2,1H3/p+1


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