(2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one

Systemtic Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one Openeye Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(4-nitrophenyl)thiazolidin-4-one CAS Name: (2S)-3-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-2-(4-nitrophenyl)-4-thiazolidinone IUPAC Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one Traditional Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(4-nitrophenyl)thiazolidin-4-one Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCN2C(SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCN2[C@@H](SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3S/c1-18-9-11-19(12-10-18)7-2-8-20-16(22)13-25-17(20)14-3-5-15(6-4-14)21(23)24/h3-6,17H,2,7-13H2,1H3/p+1/t17-/m0/s1