(3R,4R)-1-[(5-cyclohexylthiophen-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-cyclohexylthiophen-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-cyclohexyl-2-thienyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-cyclohexyl-2-thiophenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-cyclohexylthiophen-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(5-cyclohexyl-2-thienyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C21H37N3OS+2 MolecularWeight: 379.60298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=CC=C(S3)C4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=C(S3)C4CCCCC4

InChI

InChI=1S/C21H35N3OS/c1-22-11-13-24(14-12-22)19-9-10-23(16-20(19)25)15-18-7-8-21(26-18)17-5-3-2-4-6-17/h7-8,17,19-20,25H,2-6,9-16H2,1H3/p+2/t19-,20-/m1/s1