3-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazino)propan-1-one Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H31N3O2S/c1-16(24)19-12-18(15-26-19)14-22-7-3-4-17(13-22)5-6-20(25)23-10-8-21(2)9-11-23/h12,15,17H,3-11,13-14H2,1-2H3/p+1/t17-/m1/s1