N-[(2R)-2-(2-azanyl-6-phenoxy-quinazolin-3-ium-3-yl)-2-cyclohexyl-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(2R)-2-(2-azanyl-6-phenoxy-quinazolin-3-ium-3-yl)-2-cyclohexyl-ethyl]cyclohexanecarboxamide Openeye Name: N-[(2R)-2-(2-amino-6-phenoxy-quinazolin-3-ium-3-yl)-2-cyclohexyl-ethyl]cyclohexanecarboxamide CAS Name: N-[(2R)-2-(2-amino-6-phenoxy-3-quinazolin-3-iumyl)-2-cyclohexylethyl]cyclohexanecarboxamide IUPAC Name: N-[(2R)-2-(2-amino-6-phenoxyquinazolin-3-ium-3-yl)-2-cyclohexylethyl]cyclohexanecarboxamide Traditional Name: N-[(2R)-2-(2-amino-6-phenoxy-quinazolin-3-ium-3-yl)-2-cyclohexyl-ethyl]cyclohexanecarboxamide Formula: C29H37N4O2+ MolecularWeight: 473.62968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CNC(=O)C2CCCCC2)[N+]3=C(N=C4C=CC(=CC4=C3)OC5=CC=CC=C5)N

Isomeric SMILES

C1CCC(CC1)[C@H](CNC(=O)C2CCCCC2)[N+]3=C(N=C4C=CC(=CC4=C3)OC5=CC=CC=C5)N

InChI

InChI=1S/C29H36N4O2/c30-29-32-26-17-16-25(35-24-14-8-3-9-15-24)18-23(26)20-33(29)27(21-10-4-1-5-11-21)19-31-28(34)22-12-6-2-7-13-22/h3,8-9,14-18,20-22,27,30H,1-2,4-7,10-13,19H2,(H,31,34)/p+1/t27-/m0/s1