tert-butyl 4-[3-[4-(2-azanyl-2-oxidanylidene-ethyl)-1-(4-methylsulfonylphenyl)piperidin-1-ium-1-yl]-1-phenyl-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-(2-azanyl-2-oxidanylidene-ethyl)-1-(4-methylsulfonylphenyl)piperidin-1-ium-1-yl]-1-phenyl-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(2-amino-2-oxo-ethyl)-1-(4-methylsulfonylphenyl)piperidin-1-ium-1-yl]-1-phenyl-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[4-(2-amino-2-oxoethyl)-1-(4-methylsulfonylphenyl)-1-piperidin-1-iumyl]-1-phenylpropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(2-amino-2-oxoethyl)-1-(4-methylsulfonylphenyl)piperidin-1-ium-1-yl]-1-phenylpropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[4-(2-amino-2-keto-ethyl)-1-(4-mesylphenyl)piperidin-1-ium-1-yl]-1-phenyl-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H48N3O5S+ MolecularWeight: 598.81632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(CC[N+]2(CCC(CC2)CC(=O)N)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(CC[N+]2(CCC(CC2)CC(=O)N)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C33H47N3O5S/c1-33(2,3)41-32(38)35-19-14-27(15-20-35)30(26-8-6-5-7-9-26)18-23-36(21-16-25(17-22-36)24-31(34)37)28-10-12-29(13-11-28)42(4,39)40/h5-13,25,27,30H,14-24H2,1-4H3,(H-,34,37)/p+1