(3aS,6aR)-1-phenyl-6-prop-2-enyl-3-thiophen-2-yl-4,6a-dihydro-3aH-pyrrolo[2,3-c]pyrazol-6-ium-5-carboxylate

Systemtic Name: (3aS,6aR)-1-phenyl-6-prop-2-enyl-3-thiophen-2-yl-4,6a-dihydro-3aH-pyrrolo[2,3-c]pyrazol-6-ium-5-carboxylate Openeye Name: (3aS,6aR)-6-allyl-1-phenyl-3-(2-thienyl)-4,6a-dihydro-3aH-pyrrolo[2,3-c]pyrazol-6-ium-5-carboxylate CAS Name: (3aS,6aR)-1-phenyl-6-prop-2-enyl-3-thiophen-2-yl-4,6a-dihydro-3aH-pyrrolo[2,3-c]pyrazol-6-ium-5-carboxylate IUPAC Name: (3aS,6aR)-1-phenyl-6-prop-2-enyl-3-thiophen-2-yl-4,6a-dihydro-3aH-pyrrolo[2,3-c]pyrazol-6-ium-5-carboxylate Traditional Name: (3aS,6aR)-6-allyl-1-phenyl-3-(2-thienyl)-4,6a-dihydro-3aH-pyrrolo[2,3-c]pyrazol-6-ium-5-carboxylate Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(CC2C1N(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C=CC[N+]1=C(C[C@H]2[C@H]1N(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C19H17N3O2S/c1-2-10-21-15(19(23)24)12-14-17(16-9-6-11-25-16)20-22(18(14)21)13-7-4-3-5-8-13/h2-9,11,14,18H,1,10,12H2/t14-,18-/m1/s1