3-azanyl-3-[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]propanamide chloride

Systemtic Name: 3-azanyl-3-[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]propanamide chloride Openeye Name: 3-amino-3-[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]propanamide chloride CAS Name: 3-amino-3-[4-[(2R,4S)-4-mercapto-2-pyrrolidin-1-iumyl]phenyl]propanamide chloride IUPAC Name: 3-amino-3-[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]propanamide chloride Traditional Name: 3-amino-3-[4-[(2R,4S)-4-mercaptopyrrolidin-1-ium-2-yl]phenyl]propionamide chloride Formula: C13H20ClN3OS MolecularWeight: 301.8354

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C2=CC=C(C=C2)C(CC(=O)N)N)S.[Cl-]

Isomeric SMILES

C1[C@@H](C[NH2+][C@H]1C2=CC=C(C=C2)C(CC(=O)N)N)S.[Cl-]

InChI

InChI=1S/C13H19N3OS.ClH/c14-11(6-13(15)17)8-1-3-9(4-2-8)12-5-10(18)7-16-12;/h1-4,10-12,16,18H,5-7,14H2,(H2,15,17);1H/t10-,11?,12+;/m0./s1