N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyridine-2-carboxamide Openeye Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyridine-2-carboxamide CAS Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]pyridine-2-carboxamide Traditional Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]picolinamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)C3=CC=CC=N3

Isomeric SMILES

CCCC[C@H]1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H27N3O2/c1-2-3-9-18-16-24(15-17-8-4-5-11-20(17)26-18)14-13-23-21(25)19-10-6-7-12-22-19/h4-8,10-12,18H,2-3,9,13-16H2,1H3,(H,23,25)/p+1/t18-/m0/s1