1-[4-[[2,6-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonylazepane

Systemtic Name: 1-[4-[[2,6-bis(chloranyl)phenyl]methyl]piperazin-4-ium-1-yl]sulfonylazepane Openeye Name: 1-[4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylazepane CAS Name: 1-[[4-[(2,6-dichlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]azepane IUPAC Name: 1-[4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylazepane Traditional Name: 1-[4-(2,6-dichlorobenzyl)piperazin-4-ium-1-yl]sulfonylazepane Formula: C17H26Cl2N3O2S+ MolecularWeight: 407.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C17H25Cl2N3O2S/c18-16-6-5-7-17(19)15(16)14-20-10-12-22(13-11-20)25(23,24)21-8-3-1-2-4-9-21/h5-7H,1-4,8-14H2/p+1