N-[4-[(2S)-butan-2-yl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C20H27N4S+ MolecularWeight: 355.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4S/c1-3-16(2)17-7-9-18(10-8-17)22-20(25)24-14-12-23(13-15-24)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1