1-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-methyl-1-oxo-3-(1-piperazin-4-iumylsulfonyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanoyl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]isonipecotamide Formula: C14H27N4O4S+ MolecularWeight: 347.45358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C14H26N4O4S/c1-11(10-23(21,22)18-8-4-16-5-9-18)14(20)17-6-2-12(3-7-17)13(15)19/h11-12,16H,2-10H2,1H3,(H2,15,19)/p+1/t11-/m1/s1