(2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: (2R)-2-[(4-nitrophenyl)thio]-1-[4-(3-thenyl)piperazin-4-ium-1-yl]propan-1-one Formula: C18H22N3O3S2+ MolecularWeight: 392.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CSC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CSC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S2/c1-14(26-17-4-2-16(3-5-17)21(23)24)18(22)20-9-7-19(8-10-20)12-15-6-11-25-13-15/h2-6,11,13-14H,7-10,12H2,1H3/p+1/t14-/m1/s1