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

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]quinoxaline-5-carboxamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]quinoxaline-5-carboxamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-5-quinoxalinecarboxamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]quinoxaline-5-carboxamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]quinoxaline-5-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C23H26N4O3/c1-3-17-15-27(14-16-13-18(29-2)7-8-21(16)30-17)12-11-26-23(28)19-5-4-6-20-22(19)25-10-9-24-20/h4-10,13,17H,3,11-12,14-15H2,1-2H3,(H,26,28)/p+1/t17-/m0/s1