2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone

Systemtic Name: 2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone Openeye Name: 2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone CAS Name: 2-[[5-(ethoxymethyl)-2-methyl-4-pyrimidin-1-iumyl]amino]-1-(5-methoxy-1,2-dimethyl-3-indolyl)ethanone IUPAC Name: 2-[[5-(ethoxymethyl)-2-methylpyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone Traditional Name: 2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone Formula: C21H27N4O3+ MolecularWeight: 383.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C[NH+]=C(N=C1NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C)C

Isomeric SMILES

CCOCC1=C[NH+]=C(N=C1NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C)C

InChI

InChI=1S/C21H26N4O3/c1-6-28-12-15-10-22-14(3)24-21(15)23-11-19(26)20-13(2)25(4)18-8-7-16(27-5)9-17(18)20/h7-10H,6,11-12H2,1-5H3,(H,22,23,24)/p+1