N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C25H29N4O3+ MolecularWeight: 433.52276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)[NH+]5CCCC5

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)[NH+]5CCCC5

InChI

InChI=1S/C25H28N4O3/c1-32-22-8-3-2-7-19(22)21(28-12-4-5-13-28)16-26-24(30)17-10-11-18-20(15-17)27-23-9-6-14-29(23)25(18)31/h2-3,7-8,10-11,15,21H,4-6,9,12-14,16H2,1H3,(H,26,30)/p+1/t21-/m0/s1