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

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-phenyl-butanamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-phenyl-butanamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-phenylbutanamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-phenylbutanamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-phenyl-butyramide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3/c1-3-21-18-26(17-20-16-22(28-2)12-13-23(20)29-21)15-14-25-24(27)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,16,21H,3,7,10-11,14-15,17-18H2,1-2H3,(H,25,27)/p+1/t21-/m0/s1