4-methyl-2-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-2-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-2-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiazole-5-carboxamide CAS Name: 4-methyl-2-phenyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-5-thiazolecarboxamide IUPAC Name: 4-methyl-2-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-2-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiazole-5-carboxamide Formula: C21H24N3OS2+ MolecularWeight: 398.56476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C21H23N3OS2/c1-15-19(27-21(23-15)16-8-3-2-4-9-16)20(25)22-14-17(18-10-7-13-26-18)24-11-5-6-12-24/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,22,25)/p+1/t17-/m0/s1