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

Systemtic Name: 4-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-(1-azepan-1-iumyl)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]benzamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCCCCC2

InChI

InChI=1S/C16H23N3O2/c1-12(19-10-4-2-3-5-11-19)16(21)18-14-8-6-13(7-9-14)15(17)20/h6-9,12H,2-5,10-11H2,1H3,(H2,17,20)(H,18,21)/p+1/t12-/m1/s1