4-(cyclohexylmethyl)-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(cyclohexylmethyl)-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(cyclohexylmethyl)-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(cyclohexylmethyl)-9-methoxy-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(cyclohexylmethyl)-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(cyclohexylmethyl)-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H29N2O2+ MolecularWeight: 353.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H28N2O2/c1-25-21-13-19(18-8-5-9-23-14-18)12-20-16-24(10-11-26-22(20)21)15-17-6-3-2-4-7-17/h5,8-9,12-14,17H,2-4,6-7,10-11,15-16H2,1H3/p+1