(6-morpholin-4-ylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (6-morpholin-4-ylpyridin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(6-morpholino-3-pyridyl)methanone CAS Name: [6-(4-morpholinyl)-3-pyridinyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(6-morpholin-4-ylpyridin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(6-morpholino-3-pyridyl)methanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CN=C(C=C2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CN=C(C=C2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2/c27-22(20-7-8-21(23-17-20)25-13-15-28-16-14-25)26-10-4-9-24(11-12-26)18-19-5-2-1-3-6-19/h1-3,5-8,17H,4,9-16,18H2/p+1