N-(1-benzothiophen-2-ylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide Openeye Name: N-(benzothiophen-2-ylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propanamide Traditional Name: N-(benzothiophen-2-ylmethyl)-3-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]propionamide Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CCC(=O)NCC3=CC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CCC(=O)NCC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N2O3S/c1-16-14-25(15-18-7-8-19(27-2)12-21(18)28-16)10-9-23(26)24-13-20-11-17-5-3-4-6-22(17)29-20/h3-8,11-12,16H,9-10,13-15H2,1-2H3,(H,24,26)/p+1/t16-/m0/s1