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

Systemtic Name: 4-(1H-indol-3-ylmethyl)-7-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(1H-indol-3-ylmethyl)-7-(morpholinomethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(1H-indol-3-ylmethyl)-7-(4-morpholinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(1H-indol-3-ylmethyl)-7-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(1H-indol-3-ylmethyl)-7-(morpholinomethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CNC4=CC=CC=C43)C=C(C=C2)CN5CCOCC5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CNC4=CC=CC=C43)C=C(C=C2)CN5CCOCC5

InChI

InChI=1S/C23H27N3O2/c1-2-4-22-21(3-1)20(14-24-22)17-26-9-12-28-23-6-5-18(13-19(23)16-26)15-25-7-10-27-11-8-25/h1-6,13-14,24H,7-12,15-17H2/p+1