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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-[(3R)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-thenyl)piperidin-1-ium-3-yl]propan-1-one Formula: C24H35N3OS+2 MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CSC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CSC=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3OS/c28-24(27-14-12-25(13-15-27)17-21-5-2-1-3-6-21)9-8-22-7-4-11-26(18-22)19-23-10-16-29-20-23/h1-3,5-6,10,16,20,22H,4,7-9,11-15,17-19H2/p+2/t22-/m1/s1