2-azanyl-4-pyridin-1-ium-1-yl-butanoic acid

Systemtic Name: 2-azanyl-4-pyridin-1-ium-1-yl-butanoic acid Openeye Name: 2-amino-4-pyridin-1-ium-1-yl-butanoic acid CAS Name: 2-amino-4-(1-pyridin-1-iumyl)butanoic acid IUPAC Name: 2-amino-4-pyridin-1-ium-1-ylbutanoic acid Traditional Name: 2-amino-4-pyridin-1-ium-1-yl-butyric acid Formula: C9H13N2O2+ MolecularWeight: 181.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=[N+](C=C1)CCC(C(=O)O)N

InChI

InChI=1S/C9H12N2O2/c10-8(9(12)13)4-7-11-5-2-1-3-6-11/h1-3,5-6,8H,4,7,10H2/p+1