N-(4-carbamothioylphenyl)-4-pyrrolidin-1-ium-1-yl-butanamide

Systemtic Name: N-(4-carbamothioylphenyl)-4-pyrrolidin-1-ium-1-yl-butanamide Openeye Name: N-(4-carbamothioylphenyl)-4-pyrrolidin-1-ium-1-yl-butanamide CAS Name: N-(4-carbamothioylphenyl)-4-(1-pyrrolidin-1-iumyl)butanamide IUPAC Name: N-(4-carbamothioylphenyl)-4-pyrrolidin-1-ium-1-ylbutanamide Traditional Name: 4-pyrrolidin-1-ium-1-yl-N-(4-thiocarbamoylphenyl)butyramide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCC(=O)NC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](C1)CCCC(=O)NC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C15H21N3OS/c16-15(20)12-5-7-13(8-6-12)17-14(19)4-3-11-18-9-1-2-10-18/h5-8H,1-4,9-11H2,(H2,16,20)(H,17,19)/p+1