(2S)-8-methoxy-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-8-methoxy-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-8-methoxy-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-8-methoxy-2-methyl-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-8-methoxy-2-methyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-8-methoxy-2-methyl-4-[4-(2-pyrimidyloxy)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C22H23N3O3/c1-16-13-25(15-18-6-9-20(26-2)12-21(18)27-16)14-17-4-7-19(8-5-17)28-22-23-10-3-11-24-22/h3-12,16H,13-15H2,1-2H3/p+1/t16-/m0/s1