N-ethyl-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: N-ethyl-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(4-pyridylmethyl)acetamide CAS Name: N-ethyl-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: N-ethyl-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: N-ethyl-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(4-pyridylmethyl)acetamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)C[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-2-28(16-20-12-14-26-15-13-20)25(29)19-27-17-22-10-6-7-11-23(22)30-24(18-27)21-8-4-3-5-9-21/h3-15,24H,2,16-19H2,1H3/p+1/t24-/m1/s1