4-[[(2R)-2-(azocan-1-ium-1-yl)propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-(azocan-1-ium-1-yl)propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-(azocan-1-ium-1-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-(1-azocan-1-iumyl)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-(azocan-1-ium-1-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-(azocan-1-ium-1-yl)propanoyl]amino]benzamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCCCCCC2

InChI

InChI=1S/C17H25N3O2/c1-13(20-11-5-3-2-4-6-12-20)17(22)19-15-9-7-14(8-10-15)16(18)21/h7-10,13H,2-6,11-12H2,1H3,(H2,18,21)(H,19,22)/p+1/t13-/m1/s1