(2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-7-methoxy-4-piperonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H24NO4+ MolecularWeight: 342.40886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23NO4/c1-3-16-12-21(10-14-4-6-19-20(8-14)24-13-23-19)11-15-9-17(22-2)5-7-18(15)25-16/h4-9,16H,3,10-13H2,1-2H3/p+1/t16-/m0/s1