2-(3-methylbutyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(3-methylbutyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-isopentyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(3-methylbutyl)-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(3-methylbutyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-isoamyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4O3/c1-16(2)8-10-27-22(29)18-7-6-17(15-19(18)23(27)30)21(28)26-13-11-25(12-14-26)20-5-3-4-9-24-20/h3-7,9,15-16H,8,10-14H2,1-2H3/p+1