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2-ethanoyl-4-[1-(phenylmethyl)piperazin-1-ium-1-yl]pentanoic acid

2-ethanoyl-4-[1-(phenylmethyl)piperazin-1-ium-1-yl]pentanoic acid

Systemtic Name:2-ethanoyl-4-[1-(phenylmethyl)piperazin-1-ium-1-yl]pentanoic acid
Openeye Name:2-acetyl-4-(1-benzylpiperazin-1-ium-1-yl)pentanoic acid
CAS Name:2-acetyl-4-[1-(phenylmethyl)-1-piperazin-1-iumyl]pentanoic acid
IUPAC Name:2-acetyl-4-(1-benzylpiperazin-1-ium-1-yl)pentanoic acid
Traditional Name:2-acetyl-4-(1-benzylpiperazin-1-ium-1-yl)valeric acid
Formula: C18H27N2O3+
MolecularWeight: 319.41858
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H26N2O3/c1-14(12-17(15(2)21)18(22)23)20(10-8-19-9-11-20)13-16-6-4-3-5-7-16/h3-7,14,17,19H,8-13H2,1-2H3/p+1


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