[1-tert-butyl-4-[(6-methoxyquinolin-4-yl)methylamino]azepan-1-ium-1-yl]carbamic acid

Systemtic Name: [1-tert-butyl-4-[(6-methoxyquinolin-4-yl)methylamino]azepan-1-ium-1-yl]carbamic acid Openeye Name: [1-tert-butyl-4-[(6-methoxy-4-quinolyl)methylamino]azepan-1-ium-1-yl]carbamic acid CAS Name: [1-tert-butyl-4-[(6-methoxy-4-quinolinyl)methylamino]-1-azepan-1-iumyl]carbamic acid IUPAC Name: [1-tert-butyl-4-[(6-methoxyquinolin-4-yl)methylamino]azepan-1-ium-1-yl]carbamic acid Traditional Name: [1-tert-butyl-4-[(6-methoxy-4-quinolyl)methylamino]azepan-1-ium-1-yl]carbamic acid Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CCCC(CC1)NCC2=C3C=C(C=CC3=NC=C2)OC)NC(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(CCCC(CC1)NCC2=C3C=C(C=CC3=NC=C2)OC)NC(=O)O

InChI

InChI=1S/C22H32N4O3/c1-22(2,3)26(25-21(27)28)12-5-6-17(10-13-26)24-15-16-9-11-23-20-8-7-18(29-4)14-19(16)20/h7-9,11,14,17,24-25H,5-6,10,12-13,15H2,1-4H3/p+1