3-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-isopropoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-isopropoxybenzoyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OC

InChI

InChI=1S/C23H29N3O3S/c1-16(2)29-18-12-10-17(11-13-18)22(27)26(15-7-14-25(3)4)23-24-21-19(28-5)8-6-9-20(21)30-23/h6,8-13,16H,7,14-15H2,1-5H3/p+1