2-(7-methoxynaphthalen-1-yl)-2-(1-piperazin-1-ylethyl)isoindol-2-ium-1,3-dione

Systemtic Name: 2-(7-methoxynaphthalen-1-yl)-2-(1-piperazin-1-ylethyl)isoindol-2-ium-1,3-dione Openeye Name: 2-(7-methoxy-1-naphthyl)-2-(1-piperazin-1-ylethyl)isoindolin-2-ium-1,3-dione CAS Name: 2-(7-methoxy-1-naphthalenyl)-2-[1-(1-piperazinyl)ethyl]isoindol-2-ium-1,3-dione IUPAC Name: 2-(7-methoxynaphthalen-1-yl)-2-(1-piperazin-1-ylethyl)isoindol-2-ium-1,3-dione Traditional Name: 2-(7-methoxy-1-naphthyl)-2-(1-piperazinoethyl)isoindolin-2-ium-1,3-quinone Formula: C25H26N3O3+ MolecularWeight: 416.49224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCNCC1)[N+]2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=C4C=C(C=C5)OC

Isomeric SMILES

CC(N1CCNCC1)[N+]2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=C4C=C(C=C5)OC

InChI

InChI=1S/C25H26N3O3/c1-17(27-14-12-26-13-15-27)28(24(29)20-7-3-4-8-21(20)25(28)30)23-9-5-6-18-10-11-19(31-2)16-22(18)23/h3-11,16-17,26H,12-15H2,1-2H3/q+1