2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidinosulfonylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C24H31N4O3S2+ MolecularWeight: 487.65794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C24H30N4O3S2/c1-17-7-12-21-22(18(17)2)25-24(32-21)28(16-15-26(3)4)23(29)19-8-10-20(11-9-19)33(30,31)27-13-5-6-14-27/h7-12H,5-6,13-16H2,1-4H3/p+1