N-[(4-methoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-p-anisyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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