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

Systemtic Name: 2-(7-methoxynaphthalen-1-yl)-2-(1-piperazin-1-ylethyl)isoindol-2-ium-1,3-dione hydrochloride Openeye Name: 2-(7-methoxy-1-naphthyl)-2-(1-piperazin-1-ylethyl)isoindolin-2-ium-1,3-dione hydrochloride CAS Name: 2-(7-methoxy-1-naphthalenyl)-2-[1-(1-piperazinyl)ethyl]isoindol-2-ium-1,3-dione hydrochloride IUPAC Name: 2-(7-methoxynaphthalen-1-yl)-2-(1-piperazin-1-ylethyl)isoindol-2-ium-1,3-dione hydrochloride Traditional Name: 2-(7-methoxy-1-naphthyl)-2-(1-piperazinoethyl)isoindolin-2-ium-1,3-quinone hydrochloride Formula: C25H27ClN3O3+ MolecularWeight: 452.95318

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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26N3O3.ClH/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;1H/q+1;