4-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazin-4-ium-1-yl]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C27H29N3O3S/c1-18-19(2)24(33-3)8-7-21(18)16-28-10-12-29(13-11-28)23-6-4-5-22-25(23)27(32)30(26(22)31)15-20-9-14-34-17-20/h4-9,14,17H,10-13,15-16H2,1-3H3/p+1