2-[3-oxidanylidene-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-oxidanylidene-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]isoindoline-1,3-quinone Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O3/c1-18(2)20-9-7-19(8-10-20)17-26-13-15-27(16-14-26)23(29)11-12-28-24(30)21-5-3-4-6-22(21)25(28)31/h3-10,18H,11-17H2,1-2H3/p+1