tert-butyl 1-[[[4-(6-chloranylnaphthalen-2-yl)sulfanyl-2-oxidanylidene-piperazin-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[[[4-(6-chloranylnaphthalen-2-yl)sulfanyl-2-oxidanylidene-piperazin-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[[[4-[(6-chloro-2-naphthyl)sulfanyl]-2-oxo-piperazin-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[[[4-[(6-chloro-2-naphthalenyl)thio]-2-oxo-1-piperazinyl]amino]methyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[[4-(6-chloronaphthalen-2-yl)sulfanyl-2-oxopiperazin-1-yl]amino]methyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[[[4-[(6-chloro-2-naphthyl)thio]-2-keto-piperazino]amino]methyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H34ClN4O3S+ MolecularWeight: 506.08046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)CNN2CCN(CC2=O)SC3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)CNN2CCN(CC2=O)SC3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C25H34ClN4O3S/c1-25(2,3)33-24(32)30(13-5-4-6-14-30)18-27-29-12-11-28(17-23(29)31)34-22-10-8-19-15-21(26)9-7-20(19)16-22/h7-10,15-16,27H,4-6,11-14,17-18H2,1-3H3/q+1