N-[11-(2-piperidin-1-ium-1-ylethanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide

Systemtic Name: N-[11-(2-piperidin-1-ium-1-ylethanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide Openeye Name: N-[11-(2-piperidin-1-ium-1-ylacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide CAS Name: N-[11-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide IUPAC Name: N-[11-(2-piperidin-1-ium-1-ylacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide Traditional Name: N-[11-(2-piperidin-1-ium-1-ylacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-valeramide Formula: C29H40N3O2+ MolecularWeight: 462.6468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)C[NH+]4CCCCC4)C=C1

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)C[NH+]4CCCCC4)C=C1

InChI

InChI=1S/C29H39N3O2/c1-3-10-24(11-4-2)29(34)30-25-17-16-23-15-14-22-12-6-7-13-26(22)32(27(23)20-25)28(33)21-31-18-8-5-9-19-31/h6-7,12-13,16-17,20,24H,3-5,8-11,14-15,18-19,21H2,1-2H3,(H,30,34)/p+1