2-oxidanylidenepropyl N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate

Systemtic Name: 2-oxidanylidenepropyl N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate Openeye Name: acetonyl 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazin-4-iumcarboximidothioic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-benzyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid acetonyl ester Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC(=NC1=CC=CC=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC(=NC1=CC=CC=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-18(25)17-26-21(22-20-10-6-3-7-11-20)24-14-12-23(13-15-24)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3/p+1