N-[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1-methyl-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-keto-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C(C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-3-26-12-6-7-17(26)14-23-20(28)15(2)24-21(29)16-8-9-18-19(13-16)30-22(25-18)27-10-4-5-11-27/h4-5,8-11,13,15,17H,3,6-7,12,14H2,1-2H3,(H,23,28)(H,24,29)/p+1/t15-,17-/m0/s1