N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-methyl-benzamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-methylbenzamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-methylbenzamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-methyl-benzamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O3/c1-4-19-15-24(14-18-13-20(26-3)9-10-21(18)27-19)12-11-23-22(25)17-7-5-16(2)6-8-17/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,23,25)/p+1/t19-/m0/s1