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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c26-29(27,25-9-3-4-10-25)20-7-8-21(23-16-20)22-15-18-5-1-2-6-19(18)17-24-11-13-28-14-12-24/h1-2,5-8,16H,3-4,9-15,17H2,(H,22,23)/p+2