diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[hydrocinnamoyl-(6-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(S1)C=C(C=C2)C)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)CCC3=CC=CC=C3

InChI

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