(3aR,7aR)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3a,7a-dihydroisoindole-1,3-dione

Systemtic Name: (3aR,7aR)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3a,7a-dihydroisoindole-1,3-dione Openeye Name: (3aR,7aR)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3a,7a-dihydroisoindole-1,3-dione CAS Name: (3aR,7aR)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3a,7a-dihydroisoindole-1,3-dione IUPAC Name: (3aR,7aR)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3a,7a-dihydroisoindole-1,3-dione Traditional Name: (3aR,7aR)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3a,7a-dihydroisoindole-1,3-quinone Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3C=CC=CC3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)[C@@H]3C=CC=C[C@H]3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2/c23-18-16-8-4-5-9-17(16)19(24)22(18)14-20-10-12-21(13-11-20)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2/p+1/t16-,17-/m1/s1