1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]ethanone Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H28N4O2S/c27-20(15-24-10-12-25(13-11-24)22(28)16-7-8-16)26-9-3-4-17(14-26)21-23-18-5-1-2-6-19(18)29-21/h1-2,5-6,16-17H,3-4,7-15H2/p+1/t17-/m0/s1