ethyl 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-(cyclohexylamino)-2-quinazolinyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

InChI

InChI=1S/C22H31N5O2/c1-2-29-22(28)27-14-12-26(13-15-27)16-20-24-19-11-7-6-10-18(19)21(25-20)23-17-8-4-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3,(H,23,24,25)/p+1