(3R,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-methyl-2-thienyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-methyl-2-thiophenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(5-methyl-2-thienyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C20H31N4OS+3 MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(C(C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H28N4OS/c1-16-5-6-17(26-16)14-22-9-7-18(19(25)15-22)23-10-12-24(13-11-23)20-4-2-3-8-21-20/h2-6,8,18-19,25H,7,9-15H2,1H3/p+3/t18-,19-/m1/s1