tert-butyl 1-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(methylamino)-3-oxidanylidene-piperazin-2-yl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(methylamino)-3-oxidanylidene-piperazin-2-yl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[1-[(6-chloro-2-naphthyl)sulfonyl]-4-(methylamino)-3-oxo-piperazin-2-yl]piperidin-1-ium-1-carboxylate CAS Name: 1-[1-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(methylamino)-3-oxo-2-piperazinyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[1-(6-chloronaphthalen-2-yl)sulfonyl-4-(methylamino)-3-oxopiperazin-2-yl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-4-(methylamino)piperazin-2-yl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H34ClN4O5S+ MolecularWeight: 538.07926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2C(=O)N(CCN2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)NC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2C(=O)N(CCN2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)NC

InChI

InChI=1S/C25H34ClN4O5S/c1-25(2,3)35-24(32)30(14-6-5-7-15-30)22-23(31)28(27-4)12-13-29(22)36(33,34)21-11-9-18-16-20(26)10-8-19(18)17-21/h8-11,16-17,22,27H,5-7,12-15H2,1-4H3/q+1