ethyl-dimethyl-[2-[1-[(4-methylpyridin-2-yl)amino]-3-(4-methylpyridin-2-yl)imino-isoindol-5-yl]oxyethyl]azanium

Systemtic Name: ethyl-dimethyl-[2-[1-[(4-methylpyridin-2-yl)amino]-3-(4-methylpyridin-2-yl)imino-isoindol-5-yl]oxyethyl]azanium Openeye Name: ethyl-dimethyl-[2-[1-[(4-methyl-2-pyridyl)amino]-3-[(4-methyl-2-pyridyl)imino]isoindol-5-yl]oxyethyl]ammonium CAS Name: ethyl-dimethyl-[2-[[1-[(4-methyl-2-pyridinyl)amino]-3-[(4-methyl-2-pyridinyl)imino]-5-isoindolyl]oxy]ethyl]ammonium IUPAC Name: ethyl-dimethyl-[2-[1-[(4-methylpyridin-2-yl)amino]-3-(4-methylpyridin-2-yl)iminoisoindol-5-yl]oxyethyl]azanium Traditional Name: ethyl-dimethyl-[2-[1-[(4-methyl-2-pyridyl)amino]-3-[(4-methyl-2-pyridyl)imino]isoindol-5-yl]oxyethyl]ammonium Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CCOC1=CC2=C(C=C1)C(=NC2=NC3=NC=CC(=C3)C)NC4=NC=CC(=C4)C

Isomeric SMILES

CC[N+](C)(C)CCOC1=CC2=C(C=C1)C(=NC2=NC3=NC=CC(=C3)C)NC4=NC=CC(=C4)C

InChI

InChI=1S/C26H31N6O/c1-6-32(4,5)13-14-33-20-7-8-21-22(17-20)26(30-24-16-19(3)10-12-28-24)31-25(21)29-23-15-18(2)9-11-27-23/h7-12,15-17H,6,13-14H2,1-5H3,(H,27,28,29,30,31)/q+1