1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanone Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C20H28N4O2S/c1-16-6-4-5-9-23(16)19(25)14-21-10-12-22(13-11-21)15-24-17-7-2-3-8-18(17)26-20(24)27/h2-3,7-8,16H,4-6,9-15H2,1H3/p+1/t16-/m0/s1