5-chloranyl-2-[1-[(E)-1-(2-methoxyphenyl)but-2-enyl]piperazin-1-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[1-[(E)-1-(2-methoxyphenyl)but-2-enyl]piperazin-1-ium-1-yl]isoindole-1,3-dione Openeye Name: 5-chloro-2-[1-[(E)-1-(2-methoxyphenyl)but-2-enyl]piperazin-1-ium-1-yl]isoindoline-1,3-dione CAS Name: 5-chloro-2-[1-[(E)-1-(2-methoxyphenyl)but-2-enyl]-1-piperazin-1-iumyl]isoindole-1,3-dione IUPAC Name: 5-chloro-2-[1-[(E)-1-(2-methoxyphenyl)but-2-enyl]piperazin-1-ium-1-yl]isoindole-1,3-dione Traditional Name: 5-chloro-2-[1-[(E)-1-(2-methoxyphenyl)but-2-enyl]piperazin-1-ium-1-yl]isoindoline-1,3-quinone Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C1=CC=CC=C1OC)[N+]2(CCNCC2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C/C=C/C(C1=CC=CC=C1OC)[N+]2(CCNCC2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN3O3/c1-3-6-20(18-7-4-5-8-21(18)30-2)27(13-11-25-12-14-27)26-22(28)17-10-9-16(24)15-19(17)23(26)29/h3-10,15,20,25H,11-14H2,1-2H3/q+1/b6-3+