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

Systemtic Name: [4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H29N3OS/c1-3-26(4-2)17-19-14-12-18(13-15-19)16-24-22(27)10-7-11-23-25-20-8-5-6-9-21(20)28-23/h5-6,8-9,12-15H,3-4,7,10-11,16-17H2,1-2H3,(H,24,27)/p+1