N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-propan-2-yl-3-azepan-1-iumyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-propan-2-ylazepan-1-ium-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]benzamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)[NH+]1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3/c1-17(2)25-14-6-9-22(26)21(15-25)24-23(27)19-10-12-20(13-11-19)28-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-22,26H,6,9,14-16H2,1-2H3,(H,24,27)/p+1/t21-,22-/m1/s1