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

Systemtic Name: (7aS)-2-[3-[4-(3-bromophenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Openeye Name: (7aS)-2-[3-[4-(3-bromophenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione CAS Name: (7aS)-2-[3-[4-(3-bromophenyl)-1-piperazin-1-iumyl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione IUPAC Name: (7aS)-2-[3-[4-(3-bromophenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Traditional Name: (7aS)-2-[3-[4-(3-bromophenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazole-1,3-quinone Formula: C19H26BrN4O2+ MolecularWeight: 422.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O2/c20-15-4-1-5-16(14-15)22-12-10-21(11-13-22)7-3-9-24-18(25)17-6-2-8-23(17)19(24)26/h1,4-5,14,17H,2-3,6-13H2/p+1/t17-/m0/s1