2-[(4-methoxycarbonylphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxycarbonylphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxycarbonylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-methoxycarbonylphenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxycarbonylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-carbomethoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-14-6-5-7-17-18(14)22-21(28-17)24(13-12-23(2)3)19(25)15-8-10-16(11-9-15)20(26)27-4/h5-11H,12-13H2,1-4H3/p+1