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

Systemtic Name: 2-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propyl]isoindoline-1,3-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c1-17-6-2-3-7-18(17)16-24-12-14-25(15-13-24)21(27)10-11-26-22(28)19-8-4-5-9-20(19)23(26)29/h2-9H,10-16H2,1H3/p+1