(2S)-3-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: (2S)-3-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-(2-thienylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: (2S)-3-methyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: (2S)-3-methyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]-2-(2-thienylsulfonylamino)butyramide Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=[NH+]C=C1)N2CCCC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC(=[NH+]C=C1)N2CCCC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H26N4O3S2/c1-14(2)18(22-28(25,26)17-6-5-11-27-17)19(24)21-13-15-7-8-20-16(12-15)23-9-3-4-10-23/h5-8,11-12,14,18,22H,3-4,9-10,13H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1