4-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]piperazine-1-carbaldehyde Openeye Name: 4-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]piperazine-1-carbaldehyde CAS Name: 4-[(2S)-2-methyl-1-oxo-3-(1-piperazin-4-iumylsulfonyl)propyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanoyl]piperazine-1-carbaldehyde Traditional Name: 4-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]piperazine-1-carbaldehyde Formula: C13H25N4O4S+ MolecularWeight: 333.427

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCN(CC2)C=O

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C13H24N4O4S/c1-12(10-22(20,21)17-4-2-14-3-5-17)13(19)16-8-6-15(11-18)7-9-16/h11-12,14H,2-10H2,1H3/p+1/t12-/m1/s1