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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-ethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-ethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-ethoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-ethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-ethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O2S/c1-4-25-16-11-9-15(10-12-16)19(24)23(14-13-22(2)3)20-21-17-7-5-6-8-18(17)26-20/h5-12H,4,13-14H2,1-3H3/p+1