N-phenethyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-phenethyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-phenethyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-phenethyl-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-phenethyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-phenethyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c26-21(22-12-11-19-7-3-1-4-8-19)24-15-13-23(14-16-24)17-18-25-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,26)/p+1