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

Systemtic Name: 2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione hydrate hydrochloride Openeye Name: 2-[4-[4-(o-tolyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione hydrate hydrochloride CAS Name: 2-[4-[4-(2-methylphenyl)-1-piperazinyl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione hydrate hydrochloride IUPAC Name: 2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione hydrate hydrochloride Traditional Name: 2-[4-[4-(o-tolyl)piperazino]butyl]-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazole-1,3-quinone hydrate hydrochloride Formula: C21H33ClN4O3 MolecularWeight: 424.96472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4CCCN4C3=O.O.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4CCCN4C3=O.O.Cl

InChI

InChI=1S/C21H30N4O2.ClH.H2O/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;1H;1H2