ethyl 4-[2-[[(2S)-2-(methoxymethyl)piperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(2S)-2-(methoxymethyl)piperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[(2S)-2-(methoxymethyl)piperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-[[(2S)-2-(methoxymethyl)-1-piperidin-1-iumyl]methyl]-8-methyl-4-quinazolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(2S)-2-(methoxymethyl)piperidin-1-ium-1-yl]methyl]-8-methylquinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(2S)-2-(methoxymethyl)piperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H36N5O3+ MolecularWeight: 442.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=CC=C3C)C[NH+]4CCCCC4COC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=CC=C3C)C[NH+]4CCCC[C@H]4COC

InChI

InChI=1S/C24H35N5O3/c1-4-32-24(30)28-14-12-27(13-15-28)23-20-10-7-8-18(2)22(20)25-21(26-23)16-29-11-6-5-9-19(29)17-31-3/h7-8,10,19H,4-6,9,11-17H2,1-3H3/p+1/t19-/m0/s1