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

Systemtic Name: 7-(morpholin-4-ylmethyl)-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(morpholinomethyl)-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(4-morpholinylmethyl)-4-(5-quinoxalinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(morpholin-4-ylmethyl)-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(morpholinomethyl)-4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=C4C(=CC=C3)N=CC=N4)C=C(C=C2)CN5CCOCC5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=C4C(=CC=C3)N=CC=N4)C=C(C=C2)CN5CCOCC5

InChI

InChI=1S/C23H26N4O2/c1-2-19(23-21(3-1)24-6-7-25-23)16-27-10-13-29-22-5-4-18(14-20(22)17-27)15-26-8-11-28-12-9-26/h1-7,14H,8-13,15-17H2/p+1