N-methyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-(1-naphthylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-(1-naphthalenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-methyl-4-(1-naphthylmethyl)piperazin-4-ium-1-carbothioamide Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H21N3S/c1-18-17(21)20-11-9-19(10-12-20)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,18,21)/p+1