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

Systemtic Name: 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C29H28N3O3S+ MolecularWeight: 498.61592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CSC=C6

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CSC=C6

InChI

InChI=1S/C29H27N3O3S/c1-35-26-10-9-21-5-2-3-6-22(21)24(26)18-30-12-14-31(15-13-30)25-8-4-7-23-27(25)29(34)32(28(23)33)17-20-11-16-36-19-20/h2-11,16,19H,12-15,17-18H2,1H3/p+1