1-[1-(6,7-dimethoxyquinazolin-4-yl)-4-methyl-1-propyl-piperidin-1-ium-3-yl]urea

Systemtic Name: 1-[1-(6,7-dimethoxyquinazolin-4-yl)-4-methyl-1-propyl-piperidin-1-ium-3-yl]urea Openeye Name: [1-(6,7-dimethoxyquinazolin-4-yl)-4-methyl-1-propyl-piperidin-1-ium-3-yl]urea CAS Name: [1-(6,7-dimethoxy-4-quinazolinyl)-4-methyl-1-propyl-3-piperidin-1-iumyl]urea IUPAC Name: [1-(6,7-dimethoxyquinazolin-4-yl)-4-methyl-1-propylpiperidin-1-ium-3-yl]urea Traditional Name: [1-(6,7-dimethoxyquinazolin-4-yl)-4-methyl-1-propyl-piperidin-1-ium-3-yl]urea Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C(C1)NC(=O)N)C)C2=NC=NC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CCC[N+]1(CCC(C(C1)NC(=O)N)C)C2=NC=NC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C20H29N5O3/c1-5-7-25(8-6-13(2)16(11-25)24-20(21)26)19-14-9-17(27-3)18(28-4)10-15(14)22-12-23-19/h9-10,12-13,16H,5-8,11H2,1-4H3,(H2-,21,24,26)/p+1