(2-azanyl-2-oxidanylidene-ethyl) N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate Openeye Name: (2-amino-2-oxo-ethyl) 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazin-4-iumcarboximidothioic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-benzyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid (2-amino-2-keto-ethyl) ester Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C20H24N4OS/c21-19(25)16-26-20(22-18-9-5-2-6-10-18)24-13-11-23(12-14-24)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H2,21,25)/p+1