tert-butyl 4-[4-(aminomethyl)-1-ethyl-piperidin-4-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(aminomethyl)-1-ethyl-piperidin-4-yl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[4-(aminomethyl)-1-ethyl-4-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[4-(aminomethyl)-1-ethyl-4-piperidinyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(aminomethyl)-1-ethylpiperidin-4-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[4-(aminomethyl)-1-ethyl-4-piperidyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C17H35N4O2+ MolecularWeight: 327.4854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(CN)[NH+]2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1CCC(CC1)(CN)[NH+]2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H34N4O2/c1-5-19-8-6-17(14-18,7-9-19)21-12-10-20(11-13-21)15(22)23-16(2,3)4/h5-14,18H2,1-4H3/p+1