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

Systemtic Name: (2S)-2-ethyl-4-(1H-indol-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-ethyl-4-(1H-indol-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-ethyl-4-(1H-indol-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-ethyl-4-(1H-indol-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-4-(1H-indol-2-ylmethyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N2O2/c1-3-18-14-23(12-16-11-19(24-2)8-9-21(16)25-18)13-17-10-15-6-4-5-7-20(15)22-17/h4-11,18,22H,3,12-14H2,1-2H3/p+1/t18-/m0/s1