4-(phenylmethyl)-N-propan-2-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(phenylmethyl)-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-isopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(phenylmethyl)-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-isopropyl-piperazin-4-ium-1-carbothioamide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H23N3S/c1-13(2)16-15(19)18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,16,19)/p+1