N-[(1R)-1-(1-adamantyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C22H33N4S+ MolecularWeight: 385.58922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H32N4S/c1-16(22-13-17-10-18(14-22)12-19(11-17)15-22)24-21(27)26-8-6-25(7-9-26)20-4-2-3-5-23-20/h2-5,16-19H,6-15H2,1H3,(H,24,27)/p+1/t16-,17?,18?,19?,22?/m1/s1