(4-cyclohexylpiperazin-4-ium-1-yl)-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[1-(6-ethoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]methanone Formula: C27H40N5O2+ MolecularWeight: 466.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)C(=O)N4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)C(=O)N4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C27H39N5O2/c1-3-34-23-9-10-25-24(19-23)20(2)28-27(29-25)32-13-11-21(12-14-32)26(33)31-17-15-30(16-18-31)22-7-5-4-6-8-22/h9-10,19,21-22H,3-8,11-18H2,1-2H3/p+1