3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C26H30N5O3S+ MolecularWeight: 492.6131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)[NH+]5CCOCC5

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)[NH+]5CCOCC5

InChI

InChI=1S/C26H29N5O3S/c1-26(2,30-10-12-34-13-11-30)16-28-24(33)17-6-5-7-18(14-17)31-15-20(32)22(23(31)27)25-29-19-8-3-4-9-21(19)35-25/h3-9,14H,10-13,15-16,27H2,1-2H3,(H,28,33)/p+1