(2S)-2-ethyl-7-methoxy-4-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-ethyl-7-methoxy-4-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-ethyl-7-methoxy-4-(6-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-ethyl-7-methoxy-4-(6-quinolinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-ethyl-7-methoxy-4-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-7-methoxy-4-(6-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H24N2O2/c1-3-19-15-24(14-18-12-20(25-2)7-9-22(18)26-19)13-16-6-8-21-17(11-16)5-4-10-23-21/h4-12,19H,3,13-15H2,1-2H3/p+1/t19-/m0/s1