tert-butyl (3S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35ClN3O3+ MolecularWeight: 436.9953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H34ClN3O3/c1-23(2,3)30-22(29)27-12-4-5-18(16-27)21(28)25-20-10-13-26(14-11-20)15-17-6-8-19(24)9-7-17/h6-9,18,20H,4-5,10-16H2,1-3H3,(H,25,28)/p+1/t18-/m0/s1