9-methoxy-4-[(2R)-2-phenylpropyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(2R)-2-phenylpropyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(2R)-2-phenylpropyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(2R)-2-phenylpropyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(2R)-2-phenylpropyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(2R)-2-phenylpropyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H27N2O2+ MolecularWeight: 375.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O2/c1-18(19-7-4-3-5-8-19)16-26-11-12-28-24-22(17-26)13-21(14-23(24)27-2)20-9-6-10-25-15-20/h3-10,13-15,18H,11-12,16-17H2,1-2H3/p+1/t18-/m0/s1