6-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methylamino]pyridin-1-ium-3-sulfonamide Formula: C14H26N4O3S+2 MolecularWeight: 330.44624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C14H24N4O3S/c1-11(2)9-18-5-6-21-12(10-18)7-16-14-4-3-13(8-17-14)22(15,19)20/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,16,17)(H2,15,19,20)/p+2/t12-/m0/s1