(6-morpholin-4-ylpyridin-1-ium-3-yl)-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: (6-morpholin-4-ylpyridin-1-ium-3-yl)-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: (6-morpholinopyridin-1-ium-3-yl)-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [6-(4-morpholinyl)-3-pyridin-1-iumyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: (6-morpholin-4-ylpyridin-1-ium-3-yl)-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: (6-morpholinopyridin-1-ium-3-yl)-[(4S)-4-phenylazepan-1-yl]methanone Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CCN(C1)C(=O)C2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2/c26-22(20-8-9-21(23-17-20)24-13-15-27-16-14-24)25-11-4-7-19(10-12-25)18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19H,4,7,10-16H2/p+1/t19-/m0/s1