tert-butyl 4-methyl-4-[(3R)-3-methylpiperazin-4-ium-1-yl]carbonyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-methyl-4-[(3R)-3-methylpiperazin-4-ium-1-yl]carbonyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-methyl-4-[(3R)-3-methylpiperazin-4-ium-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-methyl-4-[[(3R)-3-methyl-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-4-[(3R)-3-methylpiperazin-4-ium-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-methyl-4-[(3R)-3-methylpiperazin-4-ium-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H32N3O3+ MolecularWeight: 326.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

C[C@@H]1CN(CC[NH2+]1)C(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H31N3O3/c1-13-12-20(11-8-18-13)14(21)17(5)6-9-19(10-7-17)15(22)23-16(2,3)4/h13,18H,6-12H2,1-5H3/p+1/t13-/m1/s1