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

Systemtic Name: (7aS)-2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Openeye Name: (7aS)-2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione CAS Name: (7aS)-2-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione IUPAC Name: (7aS)-2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Traditional Name: (7aS)-2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazole-1,3-quinone Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c25-19-18-9-6-12-23(18)20(26)24(19)11-5-4-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2/p+1/t18-/m0/s1