butyl 2-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-5-ium-10-yl)ethanoate

Systemtic Name: butyl 2-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-5-ium-10-yl)ethanoate Openeye Name: butyl 2-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-5-ium-10-yl)acetate CAS Name: 2-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-5-ium-10-yl)acetic acid butyl ester IUPAC Name: butyl 2-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-5-ium-10-yl)acetate Traditional Name: 2-(1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-5-ium-10-yl)acetic acid butyl ester Formula: C16H22N3O2+ MolecularWeight: 288.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=CC=CC=C2[N+]3=C1NCCC3

Isomeric SMILES

CCCCOC(=O)CN1C2=CC=CC=C2[N+]3=C1NCCC3

InChI

InChI=1S/C16H21N3O2/c1-2-3-11-21-15(20)12-19-14-8-5-4-7-13(14)18-10-6-9-17-16(18)19/h4-5,7-8H,2-3,6,9-12H2,1H3/p+1