2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O4S/c1-25-16-5-7-17(8-6-16)26(23,24)21-12-4-9-19(13-14-21)15-18(22)20-10-2-3-11-20/h5-8H,2-4,9-15H2,1H3/p+1