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

Systemtic Name: methyl 4-[(1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N2O2/c1-3-5-17-18-6-4-11-20(18)12-13-21(17)14-15-7-9-16(10-8-15)19(22)23-2/h4,6-11H,3,5,12-14H2,1-2H3/q+1