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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H26N4OS/c1-15-6-4-5-9-23(15)18(24)14-21-10-12-22(13-11-21)19-20-16-7-2-3-8-17(16)25-19/h2-3,7-8,15H,4-6,9-14H2,1H3/p+1/t15-/m0/s1