tert-butyl 1-[[[1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-oxidanylidene-piperazine-1,4-diium-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[[[1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-oxidanylidene-piperazine-1,4-diium-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[[[1-[(6-chloro-2-naphthyl)sulfonyl]-4-oxo-piperazine-1,4-diium-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[[[1-[(6-chloro-2-naphthalenyl)sulfonyl]-4-oxo-1-piperazine-1,4-diiumyl]amino]methyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[[1-(6-chloronaphthalen-2-yl)sulfonyl-4-oxopiperazine-1,4-diium-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[[[1-[(6-chloro-2-naphthyl)sulfonyl]-4-keto-piperazine-1,4-diium-1-yl]amino]methyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H36ClN4O5S+3 MolecularWeight: 540.09514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)CN[N+]2(CC[N+](=O)CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)CN[N+]2(CC[N+](=O)CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C25H36ClN4O5S/c1-25(2,3)35-24(31)29(13-5-4-6-14-29)19-27-30(15-11-28(32)12-16-30)36(33,34)23-10-8-20-17-22(26)9-7-21(20)18-23/h7-10,17-18,27H,4-6,11-16,19H2,1-3H3/q+3