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

Systemtic Name: 4-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Openeye Name: 4-[4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[(4-methoxy-3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Traditional Name: 4-[4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-1-yl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C(C)C5=CC=CS5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)[C@H](C)C5=CC=CS5)OC

InChI

InChI=1S/C27H29N3O3S/c1-18-16-20(9-10-23(18)33-3)17-28-11-13-29(14-12-28)22-7-4-6-21-25(22)27(32)30(26(21)31)19(2)24-8-5-15-34-24/h4-10,15-16,19H,11-14,17H2,1-3H3/p+1/t19-/m1/s1