N-(3-methylsulfanylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H22N4OS/c1-24-17-4-2-3-16(13-17)20-18(23)22-11-9-21(10-12-22)14-15-5-7-19-8-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,23)/p+1