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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C17H25ClN3O3S+ MolecularWeight: 386.9167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H24ClN3O3S/c18-15-4-6-16(7-5-15)25(23,24)21-11-3-8-19(12-13-21)14-17(22)20-9-1-2-10-20/h4-7H,1-3,8-14H2/p+1