1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylazepane

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylazepane Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylazepane CAS Name: 1-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]azepane IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylazepane Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylazepane Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3O2S/c27-29(28,25-15-9-1-2-10-16-25)26-19-17-24(18-20-26)23(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,23H,1-2,9-10,15-20H2/p+1