3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyridin-3-ylethyl)propanamide

Systemtic Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyridin-3-ylethyl)propanamide Openeye Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(3-pyridyl)ethyl]propanamide CAS Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(3-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyridin-3-ylethyl)propanamide Traditional Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(3-pyridyl)ethyl]propionamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCC3=CN=CC=C3

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-16-14-23(15-18-6-2-3-7-19(18)25-16)12-9-20(24)22-11-8-17-5-4-10-21-13-17/h2-7,10,13,16H,8-9,11-12,14-15H2,1H3,(H,22,24)/p+1/t16-/m0/s1