3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(4-ethoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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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=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C23H29N3O3S/c1-5-28-18-10-8-17(9-11-18)22(27)26(15-7-14-25(3)4)23-24-20-13-12-19(29-6-2)16-21(20)30-23/h8-13,16H,5-7,14-15H2,1-4H3/p+1