ethyl 4-[[6-chloranyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[6-chloranyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[6-chloro-4-(4-methoxy-1-piperidyl)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[6-chloro-4-(4-methoxy-1-piperidinyl)-2-quinazolinyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-chloro-4-(4-methoxypiperidin-1-yl)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[6-chloro-4-(4-methoxypiperidino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H31ClN5O3+ MolecularWeight: 448.96624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCC(CC4)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCC(CC4)OC

InChI

InChI=1S/C22H30ClN5O3/c1-3-31-22(29)28-12-10-26(11-13-28)15-20-24-19-5-4-16(23)14-18(19)21(25-20)27-8-6-17(30-2)7-9-27/h4-5,14,17H,3,6-13,15H2,1-2H3/p+1