N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-6-keto-1H-pyridine-3-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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