(2S)-2-(1,4-diazepan-4-ium-1-yl)-N-phenyl-propanamide

Systemtic Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-phenyl-propanamide Openeye Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-phenyl-propanamide CAS Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-phenylpropanamide IUPAC Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-phenylpropanamide Traditional Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-phenyl-propionamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)N2CCC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)N2CCC[NH2+]CC2

InChI

InChI=1S/C14H21N3O/c1-12(17-10-5-8-15-9-11-17)14(18)16-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,16,18)/p+1/t12-/m0/s1