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

Systemtic Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(4-pyridylmethyl)propanamide CAS Name: 3-(1-piperazin-4-iumylsulfonyl)-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(4-pyridylmethyl)propionamide Formula: C13H21N4O3S+ MolecularWeight: 313.39584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C13H20N4O3S/c18-13(16-11-12-1-4-14-5-2-12)3-10-21(19,20)17-8-6-15-7-9-17/h1-2,4-5,15H,3,6-11H2,(H,16,18)/p+1