4-azanyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

InChI

InChI=1S/C21H22N4O3/c22-17-8-4-7-16-19(17)21(28)25(20(16)27)14-18(26)24-11-9-23(10-12-24)13-15-5-2-1-3-6-15/h1-8H,9-14,22H2/p+1