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

Systemtic Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS/c1-4-18-12-13-20-21(16-18)28-23(24-20)26(15-14-25(5-2)6-3)22(27)17-19-10-8-7-9-11-19/h7-13,16H,4-6,14-15,17H2,1-3H3/p+1