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

Systemtic Name: (7aS)-2-[3-[4-(2-butoxyphenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Openeye Name: (7aS)-2-[3-[4-(2-butoxyphenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione CAS Name: (7aS)-2-[3-[4-(2-butoxyphenyl)-1-piperazin-1-iumyl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione IUPAC Name: (7aS)-2-[3-[4-(2-butoxyphenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione Traditional Name: (7aS)-2-[3-[4-(2-butoxyphenyl)piperazin-1-ium-1-yl]propyl]-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazole-1,3-quinone Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2CC[NH+](CC2)CCCN3C(=O)C4CCCN4C3=O

Isomeric SMILES

CCCCOC1=CC=CC=C1N2CC[NH+](CC2)CCCN3C(=O)[C@@H]4CCCN4C3=O

InChI

InChI=1S/C23H34N4O3/c1-2-3-18-30-21-10-5-4-8-19(21)25-16-14-24(15-17-25)11-7-13-27-22(28)20-9-6-12-26(20)23(27)29/h4-5,8,10,20H,2-3,6-7,9,11-18H2,1H3/p+1/t20-/m0/s1