N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)ethanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)ethanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide Formula: C24H33N3O2+2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C[NH+]3CCOC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C[NH+]3CCOC4=CC=CC=C4C3

InChI

InChI=1S/C24H31N3O2/c28-24(19-27-15-16-29-23-11-5-4-9-21(23)17-27)25-22-10-6-13-26(18-22)14-12-20-7-2-1-3-8-20/h1-5,7-9,11,22H,6,10,12-19H2,(H,25,28)/p+2/t22-/m0/s1