2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-isopropoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-isopropoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C23H29N3O3S/c1-15(2)29-18-10-8-17(9-11-18)22(27)26(14-13-25(4)5)23-24-20-19(28-6)12-7-16(3)21(20)30-23/h7-12,15H,13-14H2,1-6H3/p+1