2-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H23N3O2S/c1-25-18-7-3-2-6-17(18)19(24)22-20(26)21-16-10-8-15(9-11-16)14-23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H2,21,22,24,26)/p+1