methyl 4-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-29-23(28)18-8-6-16(7-9-18)14-24-21(27)15-26-12-10-17(11-13-26)22-25-19-4-2-3-5-20(19)30-22/h2-9,17H,10-15H2,1H3,(H,24,27)/p+1