1-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C28H38N4O3+2 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C[NH+]3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C[NH+]3C[C@@H](OC4=CC=CC=C4C3)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C28H36N4O3/c29-27(34)28(32-15-7-2-8-16-32)13-17-31(18-14-28)26(33)21-30-19-23-11-5-6-12-24(23)35-25(20-30)22-9-3-1-4-10-22/h1,3-6,9-12,25H,2,7-8,13-21H2,(H2,29,34)/p+2/t25-/m1/s1