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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-23(2)13-6-14-24(21-22-17-7-4-5-8-18(17)28-21)19(25)15-9-11-16(12-10-15)20(26)27-3/h4-5,7-12H,6,13-14H2,1-3H3/p+1