N-phenethyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-phenethyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-phenethyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-phenethyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-phenethyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-phenethyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4S/c23-18(20-11-9-16-6-2-1-3-7-16)22-14-12-21(13-15-22)17-8-4-5-10-19-17/h1-8,10H,9,11-15H2,(H,20,23)/p+1