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

Systemtic Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one Openeye Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(3-nitrophenyl)thiazolidin-4-one CAS Name: (2S)-3-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-2-(3-nitrophenyl)-4-thiazolidinone IUPAC Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one Traditional Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-18-8-10-19(11-9-18)6-3-7-20-16(22)13-25-17(20)14-4-2-5-15(12-14)21(23)24/h2,4-5,12,17H,3,6-11,13H2,1H3/p+1/t17-/m0/s1