N-[2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]cyclohexene-1-carboxamide

Systemtic Name: N-[2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]cyclohexene-1-carboxamide Openeye Name: N-[2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]cyclohexene-1-carboxamide CAS Name: N-[2-[(2S)-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-1-cyclohexenecarboxamide IUPAC Name: N-[2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]cyclohexene-1-carboxamide Traditional Name: N-[2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]cyclohexene-1-carboxamide Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)NCC[NH+]2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

C1CCC(=CC1)C(=O)NCC[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C22H26N2O2S/c25-22(17-6-2-1-3-7-17)23-11-12-24-14-18-8-4-5-9-20(18)26-21(15-24)19-10-13-27-16-19/h4-6,8-10,13,16,21H,1-3,7,11-12,14-15H2,(H,23,25)/p+1/t21-/m1/s1