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

Systemtic Name: methyl 4-[(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate Openeye Name: methyl 4-[(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate CAS Name: 4-[(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoate Traditional Name: 4-[(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-5-ium-2-yl)methyl]benzoic acid methyl ester Formula: C17H19N2O2+ MolecularWeight: 283.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=[N+]2CCN1CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C2C=CC=[N+]2CCN1CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H19N2O2/c1-13-16-4-3-9-18(16)10-11-19(13)12-14-5-7-15(8-6-14)17(20)21-2/h3-9H,10-12H2,1-2H3/q+1