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

Systemtic Name: (4S)-5-azanyl-1-(3-morpholin-4-ylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydropyrrol-1-ium-3-one Openeye Name: (4S)-5-amino-1-(3-morpholinopropyl)-4-(4-phenylthiazol-2-yl)-2,4-dihydropyrrol-1-ium-3-one CAS Name: (4S)-5-amino-1-[3-(4-morpholinyl)propyl]-4-(4-phenyl-2-thiazolyl)-2,4-dihydropyrrol-1-ium-3-one IUPAC Name: (4S)-5-amino-1-(3-morpholin-4-ylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydropyrrol-1-ium-3-one Traditional Name: (4S)-5-amino-1-(3-morpholinopropyl)-4-(4-phenylthiazol-2-yl)-1-pyrrolin-1-ium-3-one Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[N+]2=C(C(C(=O)C2)C3=NC(=CS3)C4=CC=CC=C4)N

Isomeric SMILES

C1COCCN1CCC[N+]2=C([C@@H](C(=O)C2)C3=NC(=CS3)C4=CC=CC=C4)N

InChI

InChI=1S/C20H24N4O2S/c21-19-18(20-22-16(14-27-20)15-5-2-1-3-6-15)17(25)13-24(19)8-4-7-23-9-11-26-12-10-23/h1-3,5-6,14,18,21H,4,7-13H2/p+1/t18-/m1/s1