ethyl 4-[2-[[cyclohexyl(prop-2-ynyl)amino]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[cyclohexyl(prop-2-ynyl)amino]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[cyclohexyl(prop-2-ynyl)amino]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-[[cyclohexyl(prop-2-ynyl)amino]methyl]-8-methyl-4-quinazolin-3-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[cyclohexyl(prop-2-ynyl)amino]methyl]-8-methylquinazolin-3-ium-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[[cyclohexyl(propargyl)amino]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H36N5O2+ MolecularWeight: 450.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C(=NC3=C2C=CC=C3C)CN(CC#C)C4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C(=NC3=C2C=CC=C3C)CN(CC#C)C4CCCCC4

InChI

InChI=1S/C26H35N5O2/c1-4-14-31(21-11-7-6-8-12-21)19-23-27-24-20(3)10-9-13-22(24)25(28-23)29-15-17-30(18-16-29)26(32)33-5-2/h1,9-10,13,21H,5-8,11-12,14-19H2,2-3H3/p+1