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

Systemtic Name: tert-butyl 1-[4-azanyl-1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-piperazin-2-yl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-amino-1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-piperazin-2-yl]piperidin-1-ium-1-carboxylate CAS Name: 1-[4-amino-1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-2-piperazinyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-amino-1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxopiperazin-2-yl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[4-amino-1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-piperazin-2-yl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H32ClN4O5S+ MolecularWeight: 524.05268

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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)N

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)N

InChI

InChI=1S/C24H32ClN4O5S/c1-24(2,3)34-23(31)29(13-5-4-6-14-29)21-22(30)27(26)11-12-28(21)35(32,33)20-10-8-17-15-19(25)9-7-18(17)16-20/h7-10,15-16,21H,4-6,11-14,26H2,1-3H3/q+1