[4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N3OS/c1-3-25(4-2)16-18-11-9-17(10-12-18)15-23-21(26)13-14-22-24-19-7-5-6-8-20(19)27-22/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)/p+1