2-(1-methylpiperazin-1-ium-1-yl)butanoate

Systemtic Name: 2-(1-methylpiperazin-1-ium-1-yl)butanoate Openeye Name: 2-(1-methylpiperazin-1-ium-1-yl)butanoate CAS Name: 2-(1-methyl-1-piperazin-1-iumyl)butanoate IUPAC Name: 2-(1-methylpiperazin-1-ium-1-yl)butanoate Traditional Name: 2-(1-methylpiperazin-1-ium-1-yl)butyrate Formula: C9H18N2O2 MolecularWeight: 186.25142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[N+]1(CCNCC1)C

Isomeric SMILES

CCC(C(=O)[O-])[N+]1(CCNCC1)C

InChI

InChI=1S/C9H18N2O2/c1-3-8(9(12)13)11(2)6-4-10-5-7-11/h8,10H,3-7H2,1-2H3