(7aS)-2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

Systemtic Name: (7aS)-2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Openeye Name: (7aS)-2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione CAS Name: (7aS)-2-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione IUPAC Name: (7aS)-2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Traditional Name: (7aS)-2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazole-1,3-quinone Formula: C18H24ClN4O2+ MolecularWeight: 363.86176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(C(=O)N2C1)CC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@H]2C(=O)N(C(=O)N2C1)CC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H23ClN4O2/c19-14-3-1-4-15(13-14)21-10-7-20(8-11-21)9-12-23-17(24)16-5-2-6-22(16)18(23)25/h1,3-4,13,16H,2,5-12H2/p+1/t16-/m0/s1