2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[4-(4-methylpiperidino)sulfonylbenzoyl]amino]ethyl-dimethyl-ammonium Formula: C25H33N4O4S2+ MolecularWeight: 517.68392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC[NH+](C)C)C3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC[NH+](C)C)C3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C25H32N4O4S2/c1-18-11-13-28(14-12-18)35(31,32)21-8-5-19(6-9-21)24(30)29(16-15-27(2)3)25-26-22-17-20(33-4)7-10-23(22)34-25/h5-10,17-18H,11-16H2,1-4H3/p+1