5-morpholin-4-ylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: 5-morpholinosulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: 5-morpholin-4-ylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C21H30N4O3S+2 MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c26-29(27,25-11-13-28-14-12-25)20-7-8-21(23-16-20)22-15-18-3-5-19(6-4-18)17-24-9-1-2-10-24/h3-8,16H,1-2,9-15,17H2,(H,22,23)/p+2