4-[(1R)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-yl]benzoate

Systemtic Name: 4-[(1R)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-yl]benzoate Openeye Name: 4-[(1R)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-yl]benzoate CAS Name: 4-[(1R)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-yl]benzoate IUPAC Name: 4-[(1R)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-yl]benzoate Traditional Name: 4-[(1R)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-yl]benzoate Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC=C2C([NH2+]1)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN2C=CC=C2[C@H]([NH2+]1)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H14N2O2/c17-14(18)11-5-3-10(4-6-11)13-12-2-1-8-16(12)9-7-15-13/h1-6,8,13,15H,7,9H2,(H,17,18)/t13-/m1/s1