7-(morpholin-4-ium-4-ylmethyl)-4-(pyridin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(morpholin-4-ium-4-ylmethyl)-4-(pyridin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(morpholin-4-ium-4-ylmethyl)-4-(4-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(4-morpholin-4-iumylmethyl)-4-(pyridin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(morpholin-4-ium-4-ylmethyl)-4-(pyridin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(morpholin-4-ium-4-ylmethyl)-4-(4-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC=NC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC=NC=C4

InChI

InChI=1S/C20H25N3O2/c1-2-20-19(13-18(1)15-22-7-10-24-11-8-22)16-23(9-12-25-20)14-17-3-5-21-6-4-17/h1-6,13H,7-12,14-16H2/p+2