N-phenethyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-phenethyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-phenethyl-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-phenethyl-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-phenethyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-phenethyl-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C18H24N3S2+ MolecularWeight: 346.53326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3S2/c22-18(19-8-6-16-4-2-1-3-5-16)21-11-9-20(10-12-21)14-17-7-13-23-15-17/h1-5,7,13,15H,6,8-12,14H2,(H,19,22)/p+1