(2S)-2-ethyl-4-(furan-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-ethyl-4-(furan-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-ethyl-4-(2-furylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-ethyl-4-(2-furanylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-ethyl-4-(furan-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-4-(2-furfuryl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC=CO3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC=CO3

InChI

InChI=1S/C17H21NO3/c1-3-14-11-18(12-16-5-4-8-20-16)10-13-9-15(19-2)6-7-17(13)21-14/h4-9,14H,3,10-12H2,1-2H3/p+1/t14-/m0/s1