(3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(thiazol-2-ylmethyl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-(2-thiazolylmethyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-4-(4-pyridin-1-ium-2-ylpiperazino)-1-(thiazol-2-ylmethyl)pyrrolidin-1-ium-3-ol Formula: C17H25N5OS+2 MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=NC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=NC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H23N5OS/c23-15-12-20(13-17-19-5-10-24-17)11-14(15)21-6-8-22(9-7-21)16-3-1-2-4-18-16/h1-5,10,14-15,23H,6-9,11-13H2/p+2/t14-,15-/m0/s1