5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine Openeye Name: 5-morpholinosulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-(1-propyl-4-piperidin-1-iumyl)-2-pyridin-1-iumamine IUPAC Name: 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-(1-propylpiperidin-1-ium-4-yl)amine Formula: C17H30N4O3S+2 MolecularWeight: 370.5101

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H28N4O3S/c1-2-7-20-8-5-15(6-9-20)19-17-4-3-16(14-18-17)25(22,23)21-10-12-24-13-11-21/h3-4,14-15H,2,5-13H2,1H3,(H,18,19)/p+2