N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H30N4O4S+2 MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CO4

InChI

InChI=1S/C20H28N4O4S/c25-29(26,24-10-13-27-14-11-24)17-6-7-20(21-15-17)22-16-18(19-5-4-12-28-19)23-8-2-1-3-9-23/h4-7,12,15,18H,1-3,8-11,13-14,16H2,(H,21,22)/p+2/t18-/m0/s1