2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)N5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC[C@H]2C3=NC4=CC=CC=C4S3)N5CCCC5

InChI

InChI=1S/C24H28N4OS/c1-17-15-18(10-11-20(17)27-12-4-5-13-27)25-23(29)16-28-14-6-8-21(28)24-26-19-7-2-3-9-22(19)30-24/h2-3,7,9-11,15,21H,4-6,8,12-14,16H2,1H3,(H,25,29)/p+1/t21-/m0/s1