1-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azepan-2-one Openeye Name: 1-[3-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propyl]azepan-2-one CAS Name: 1-[3-[[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]propyl]-2-azepanone IUPAC Name: 1-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azepan-2-one Traditional Name: 1-[3-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propyl]azepan-2-one Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H28N4O4S/c23-18-5-2-1-3-9-21(18)10-4-8-19-17-7-6-16(15-20-17)27(24,25)22-11-13-26-14-12-22/h6-7,15H,1-5,8-14H2,(H,19,20)/p+1