3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+](CC)CCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H24N4OS/c1-3-21(4-2)10-7-11-22-12-14(23)16(17(22)19)18-20-13-8-5-6-9-15(13)24-18/h5-6,8-9H,3-4,7,10-12,19H2,1-2H3/p+1