2-[1-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(4-tert-butoxycarbonylpiperazin-1-yl)-1-ethyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[1-ethyl-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[1-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(4-tert-butoxycarbonylpiperazino)-1-ethyl-piperidin-1-ium-1-yl]acetic acid Formula: C18H34N3O4+ MolecularWeight: 356.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCN(CC2)C(=O)OC(C)(C)C)CC(=O)O

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCN(CC2)C(=O)OC(C)(C)C)CC(=O)O

InChI

InChI=1S/C18H33N3O4/c1-5-21(14-16(22)23)12-6-15(7-13-21)19-8-10-20(11-9-19)17(24)25-18(2,3)4/h15H,5-14H2,1-4H3/p+1