N-[4-methyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: N-[4-methyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-methyl-5-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: N-[4-methyl-5-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: N-[4-methyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-methyl-5-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C16H19N3OS/c1-12-14(11-19-9-5-6-10-19)21-16(17-12)18-15(20)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,17,18,20)/p+1