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

Systemtic Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[hydrocinnamoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS/c1-4-25(5-2)16-17-26(21(27)15-14-19-11-7-6-8-12-19)23-24-22-18(3)10-9-13-20(22)28-23/h6-13H,4-5,14-17H2,1-3H3/p+1