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

Systemtic Name: 1-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-yl)-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanone Openeye Name: 1-[4-hydroxy-4-(3-pyridyl)-1-piperidyl]-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanone CAS Name: 1-[4-hydroxy-4-(3-pyridinyl)-1-piperidinyl]-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanone IUPAC Name: 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanone Traditional Name: 1-[4-hydroxy-4-(3-pyridyl)piperidino]-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanone Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CN=CC=C2)O)C(=O)C[NH+]3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CN=CC=C2)O)C(=O)C[NH+]3C[C@@H](OC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3/c31-26(30-15-12-27(32,13-16-30)23-10-6-14-28-17-23)20-29-18-22-9-4-5-11-24(22)33-25(19-29)21-7-2-1-3-8-21/h1-11,14,17,25,32H,12-13,15-16,18-20H2/p+1/t25-/m1/s1