[(3S)-1-[(4-pyrazin-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone

Systemtic Name: [(3S)-1-[(4-pyrazin-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone Openeye Name: [(3S)-1-[[4-(pyrazine-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone CAS Name: [(3S)-1-[[4-[oxo(2-pyrazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-piperidin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [(3S)-1-[[4-(pyrazine-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-ylmethanone Traditional Name: [(3S)-1-[(4-pyrazinoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone Formula: C26H28N5O3+ MolecularWeight: 458.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=NC=CN=C4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=NC=CN=C4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C26H27N5O3/c32-25(20-3-1-7-27-14-20)21-4-2-10-30(17-21)16-19-5-6-24-22(13-19)18-31(11-12-34-24)26(33)23-15-28-8-9-29-23/h1,3,5-9,13-15,21H,2,4,10-12,16-18H2/p+1/t21-/m0/s1