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

Systemtic Name: 1-ethanoyl-N-[2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[2-[(2S)-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]isonipecotamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NCC[NH+]2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NCC[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C23H29N3O3S/c1-17(27)26-10-6-18(7-11-26)23(28)24-9-12-25-14-19-4-2-3-5-21(19)29-22(15-25)20-8-13-30-16-20/h2-5,8,13,16,18,22H,6-7,9-12,14-15H2,1H3,(H,24,28)/p+1/t22-/m1/s1