(4S)-5-azanyl-1-(3-oxidanylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydropyrrol-1-ium-3-one

Systemtic Name: (4S)-5-azanyl-1-(3-oxidanylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydropyrrol-1-ium-3-one Openeye Name: (4S)-5-amino-1-(3-hydroxypropyl)-4-(4-phenylthiazol-2-yl)-2,4-dihydropyrrol-1-ium-3-one CAS Name: (4S)-5-amino-1-(3-hydroxypropyl)-4-(4-phenyl-2-thiazolyl)-2,4-dihydropyrrol-1-ium-3-one IUPAC Name: (4S)-5-amino-1-(3-hydroxypropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydropyrrol-1-ium-3-one Traditional Name: (4S)-5-amino-1-(3-hydroxypropyl)-4-(4-phenylthiazol-2-yl)-1-pyrrolin-1-ium-3-one Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(=[N+]1CCCO)N)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C1C(=O)[C@H](C(=[N+]1CCCO)N)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c17-15-14(13(21)9-19(15)7-4-8-20)16-18-12(10-22-16)11-5-2-1-3-6-11/h1-3,5-6,10,14,17,20H,4,7-9H2/p+1/t14-/m1/s1