ethyl 4-[(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate

Systemtic Name: ethyl 4-[(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate Openeye Name: ethyl 4-[(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate CAS Name: 4-[(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate Traditional Name: 4-[(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoic acid ethyl ester Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=CC=[N+]2CCN1CC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C2C=CC=[N+]2CCN1CC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H25N2O2/c1-3-6-18-19-7-5-12-21(19)13-14-22(18)15-16-8-10-17(11-9-16)20(23)24-4-2/h5,7-12H,3-4,6,13-15H2,1-2H3/q+1