2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-N-(3-pyridylmethyl)propanamide CAS Name: 2,2-dimethyl-3-(1-piperazin-4-iumylsulfonyl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-N-(3-pyridylmethyl)propionamide Formula: C15H25N4O3S+ MolecularWeight: 341.449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC(C)(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C15H24N4O3S/c1-15(2,12-23(21,22)19-8-6-16-7-9-19)14(20)18-11-13-4-3-5-17-10-13/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,18,20)/p+1