2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]ethyl-diethyl-ammonium Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3OS/c1-5-26(6-2)16-17-27(22(28)15-13-20-10-8-7-9-11-20)24-25-23-19(4)18(3)12-14-21(23)29-24/h7-12,14H,5-6,13,15-17H2,1-4H3/p+1