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

Systemtic Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(4-pyridylmethyl)propanamide CAS Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(4-pyridylmethyl)propionamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O3/c1-3-18-15-24(14-17-12-19(26-2)4-5-20(17)27-18)11-8-21(25)23-13-16-6-9-22-10-7-16/h4-7,9-10,12,18H,3,8,11,13-15H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1