7-(3,4-dihydronaphthalen-2-yl)-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(3,4-dihydronaphthalen-2-yl)-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(3,4-dihydronaphthalen-2-yl)-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(3,4-dihydronaphthalen-2-yl)-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(3,4-dihydronaphthalen-2-yl)-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(3,4-dihydronaphthalen-2-yl)-4-(1H-pyrazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H24N3O+ MolecularWeight: 358.45616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=CC=C21)C3=CC4=C(C=C3)OCC[NH+](C4)CC5=CC=NN5

Isomeric SMILES

C1CC(=CC2=CC=CC=C21)C3=CC4=C(C=C3)OCC[NH+](C4)CC5=CC=NN5

InChI

InChI=1S/C23H23N3O/c1-2-4-18-13-19(6-5-17(18)3-1)20-7-8-23-21(14-20)15-26(11-12-27-23)16-22-9-10-24-25-22/h1-4,7-10,13-14H,5-6,11-12,15-16H2,(H,24,25)/p+1