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

Systemtic Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Traditional Name: 2-[hydrocinnamoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-16-8-7-11-18-20(16)22-21(26-18)24(15-14-23(2)3)19(25)13-12-17-9-5-4-6-10-17/h4-11H,12-15H2,1-3H3/p+1