(2S)-4-(furan-2-ylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-4-(furan-2-ylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-(2-furylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-(2-furanylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-(furan-2-ylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-(2-furfuryl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H20NO2+ MolecularWeight: 306.3783

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C20H19NO2/c1-2-7-16(8-3-1)20-15-21(14-18-10-6-12-22-18)13-17-9-4-5-11-19(17)23-20/h1-12,20H,13-15H2/p+1/t20-/m1/s1