2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone Openeye Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(4-pyridyl)-1-piperidyl]ethanone CAS Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyridin-4-yl-1-piperidinyl)ethanone IUPAC Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone Traditional Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(4-pyridyl)piperidino]ethanone Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C(=O)C[NH+]3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C(=O)C[NH+]3C[C@@H](OC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-27(30-16-12-22(13-17-30)21-10-14-28-15-11-21)20-29-18-24-8-4-5-9-25(24)32-26(19-29)23-6-2-1-3-7-23/h1-11,14-15,22,26H,12-13,16-20H2/p+1/t26-/m1/s1