(2S)-N-(3-iodanylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-iodanylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-iodophenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(3-iodophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-iodophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-iodophenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H19IN3O+ MolecularWeight: 360.21393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)I)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)I)N2CC[NH2+]CC2

InChI

InChI=1S/C13H18IN3O/c1-10(17-7-5-15-6-8-17)13(18)16-12-4-2-3-11(14)9-12/h2-4,9-10,15H,5-8H2,1H3,(H,16,18)/p+1/t10-/m0/s1