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

Systemtic Name: (7aS)-2-[4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Openeye Name: (7aS)-2-[4-[4-(o-tolyl)piperazin-1-ium-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione CAS Name: (7aS)-2-[4-[4-(2-methylphenyl)-1-piperazin-1-iumyl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione IUPAC Name: (7aS)-2-[4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Traditional Name: (7aS)-2-[4-[4-(o-tolyl)piperazin-1-ium-1-yl]butyl]-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazole-1,3-quinone Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCCCN3C(=O)C4CCCN4C3=O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCCCN3C(=O)[C@@H]4CCCN4C3=O

InChI

InChI=1S/C21H30N4O2/c1-17-7-2-3-8-18(17)23-15-13-22(14-16-23)10-4-5-11-25-20(26)19-9-6-12-24(19)21(25)27/h2-3,7-8,19H,4-6,9-16H2,1H3/p+1/t19-/m0/s1