ethyl 4-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate CAS Name: 4-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Traditional Name: 4-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-2-27-23(26)24-14-12-20(13-15-24)25-16-19-10-6-7-11-21(19)28-22(17-25)18-8-4-3-5-9-18/h3-11,20,22H,2,12-17H2,1H3/p+1/t22-/m1/s1