N-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyridin-4-ylethyl)propanamide

Systemtic Name: N-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyridin-4-ylethyl)propanamide Openeye Name: N-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-[2-(4-pyridyl)ethyl]propanamide CAS Name: N-methyl-3-(1-piperazin-4-iumylsulfonyl)-N-(2-pyridin-4-ylethyl)propanamide IUPAC Name: N-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyridin-4-ylethyl)propanamide Traditional Name: N-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-[2-(4-pyridyl)ethyl]propionamide Formula: C15H25N4O3S+ MolecularWeight: 341.449

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CN(CCC1=CC=NC=C1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H24N4O3S/c1-18(10-4-14-2-6-16-7-3-14)15(20)5-13-23(21,22)19-11-8-17-9-12-19/h2-3,6-7,17H,4-5,8-13H2,1H3/p+1