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

Systemtic Name: 7-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(morpholinomethyl)-4-(2-naphthylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(4-morpholinylmethyl)-4-(2-naphthalenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(morpholinomethyl)-4-(2-naphthylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H29N2O2+ MolecularWeight: 389.50996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2)CN5CCOCC5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2)CN5CCOCC5

InChI

InChI=1S/C25H28N2O2/c1-2-4-23-15-20(5-7-22(23)3-1)18-27-11-14-29-25-8-6-21(16-24(25)19-27)17-26-9-12-28-13-10-26/h1-8,15-16H,9-14,17-19H2/p+1