4-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 4-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 4-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 4-methoxy-N-[2-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 4-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 4-methoxy-N-[2-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCSC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCSC

InChI

InChI=1S/C20H28N4O2S/c1-26-18-6-4-16(5-7-18)20(25)22-19-8-11-21-24(19)17-9-13-23(14-10-17)12-3-15-27-2/h4-8,11,17H,3,9-10,12-15H2,1-2H3,(H,22,25)/p+1