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

Systemtic Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-thienylmethyl)propanamide CAS Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-thenyl)propionamide Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCC3=CC=CS3

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H22N2O2S/c1-14-12-20(13-15-5-2-3-7-17(15)22-14)9-8-18(21)19-11-16-6-4-10-23-16/h2-7,10,14H,8-9,11-13H2,1H3,(H,19,21)/p+1/t14-/m0/s1