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

Systemtic Name: (2S)-5-azanyl-4-(1,3-benzothiazol-2-yl)-2-phenyl-1-propyl-1,2-dihydropyrrol-1-ium-3-one Openeye Name: (2S)-5-amino-4-(1,3-benzothiazol-2-yl)-2-phenyl-1-propyl-1,2-dihydropyrrol-1-ium-3-one CAS Name: (2S)-5-amino-4-(1,3-benzothiazol-2-yl)-2-phenyl-1-propyl-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: (2S)-5-amino-4-(1,3-benzothiazol-2-yl)-2-phenyl-1-propyl-1,2-dihydropyrrol-1-ium-3-one Traditional Name: (2S)-5-amino-4-(1,3-benzothiazol-2-yl)-2-phenyl-1-propyl-2-pyrrolin-1-ium-3-one Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1C(C(=O)C(=C1N)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1[C@H](C(=O)C(=C1N)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c1-2-12-23-17(13-8-4-3-5-9-13)18(24)16(19(23)21)20-22-14-10-6-7-11-15(14)25-20/h3-11,17H,2,12,21H2,1H3/p+1/t17-/m0/s1