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2-azaniumyl-4-(4-azaniumylcyclohexa-2,5-dien-1-yl)butanoate

2-azaniumyl-4-(4-azaniumylcyclohexa-2,5-dien-1-yl)butanoate

Systemtic Name:2-azaniumyl-4-(4-azaniumylcyclohexa-2,5-dien-1-yl)butanoate
Openeye Name:2-azaniumyl-4-(4-azaniumylcyclohexa-2,5-dien-1-yl)butanoate
CAS Name:2-ammonio-4-(4-ammonio-1-cyclohexa-2,5-dienyl)butanoate
IUPAC Name:2-azaniumyl-4-(4-azaniumylcyclohexa-2,5-dien-1-yl)butanoate
Traditional Name:2-ammonio-4-(4-ammoniocyclohexa-2,5-dien-1-yl)butyrate
Formula: C10H17N2O2+
MolecularWeight: 197.25418
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1CCC(C(=O)[O-])[NH3+])[NH3+]


Isomeric SMILES

C1=CC(C=CC1CCC(C(=O)[O-])[NH3+])[NH3+]


InChI

InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/p+1


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