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

Systemtic Name: 3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-[(4-ethoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-4-27-16-11-9-15(10-12-16)20(26)25(14-6-13-24(2)3)21-23-19-17(22)7-5-8-18(19)28-21/h5,7-12H,4,6,13-14H2,1-3H3/p+1