N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C26H28N5O2S+ MolecularWeight: 474.59782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2S/c32-24(28-21-10-14-30(15-11-21)18-19-6-2-1-3-7-19)17-27-25(33)20-8-9-22-23(16-20)34-26(29-22)31-12-4-5-13-31/h1-9,12-13,16,21H,10-11,14-15,17-18H2,(H,27,33)(H,28,32)/p+1