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

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridin-1-ium-2-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyridin-1-iumamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H30N4O3S+2 MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

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