N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide

Systemtic Name: N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide Openeye Name: N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide CAS Name: N-[11-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide IUPAC Name: N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide Traditional Name: N-[11-(3-morpholin-4-ium-4-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-valeramide Formula: C29H40N3O3+ MolecularWeight: 478.6462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4)C=C1

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4)C=C1

InChI

InChI=1S/C29H39N3O3/c1-3-7-24(8-4-2)29(34)30-25-14-13-23-12-11-22-9-5-6-10-26(22)32(27(23)21-25)28(33)15-16-31-17-19-35-20-18-31/h5-6,9-10,13-14,21,24H,3-4,7-8,11-12,15-20H2,1-2H3,(H,30,34)/p+1