1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3R)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-thenyl)piperidin-1-ium-3-yl]propan-1-one Formula: C18H31N3OS+2 MolecularWeight: 337.52324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CSC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CSC=C3

InChI

InChI=1S/C18H29N3OS/c1-19-8-10-21(11-9-19)18(22)5-4-16-3-2-7-20(13-16)14-17-6-12-23-15-17/h6,12,15-16H,2-5,7-11,13-14H2,1H3/p+2/t16-/m1/s1