(3S,4S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(4-isopropylthiazol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(4-isopropylthiazol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C20H31N5OS+2 MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+]2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H29N5OS/c1-15(2)16-14-27-20(22-16)13-23-11-17(18(26)12-23)24-7-9-25(10-8-24)19-5-3-4-6-21-19/h3-6,14-15,17-18,26H,7-13H2,1-2H3/p+2/t17-,18-/m0/s1