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

Systemtic Name: N-[(3R,4R)-1-(2-methylpropyl)-4-oxidanyl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3R,4R)-4-hydroxy-1-isobutyl-azepan-1-ium-3-yl]benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-(2-methylpropyl)-3-azepan-1-iumyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-(2-methylpropyl)azepan-1-ium-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-4-hydroxy-1-isobutyl-azepan-1-ium-3-yl]benzamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-18(2)15-26-14-6-9-23(27)22(16-26)25-24(28)20-10-12-21(13-11-20)29-17-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-23,27H,6,9,14-17H2,1-2H3,(H,25,28)/p+1/t22-,23-/m1/s1