2-[(4-tert-butylphenyl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-tert-butylphenyl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-tert-butylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-tert-butylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-tert-butylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)17-9-7-16(8-10-17)21(27)26(14-13-25(4)5)22-24-19-12-11-18(28-6)15-20(19)29-22/h7-12,15H,13-14H2,1-6H3/p+1