N-tert-butyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H35N5O3S+2 MolecularWeight: 425.5886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H33N5O3S/c1-20(2,3)22-19(26)16-23-9-6-10-24(14-13-23)18-8-7-17(15-21-18)29(27,28)25-11-4-5-12-25/h7-8,15H,4-6,9-14,16H2,1-3H3,(H,22,26)/p+2