2-[7-(aminomethyl)-1-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-1-ium-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[7-(aminomethyl)-1-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-1-ium-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[7-(aminomethyl)-1-tert-butoxycarbonyl-1-methyl-indol-1-ium-3-yl]-2-oxo-acetic acid CAS Name: 2-[7-(aminomethyl)-1-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indol-1-iumyl]-2-oxoacetic acid IUPAC Name: 2-[7-(aminomethyl)-1-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-1-ium-3-yl]-2-oxoacetic acid Traditional Name: 2-[7-(aminomethyl)-1-tert-butoxycarbonyl-1-methyl-indol-1-ium-3-yl]-2-keto-acetic acid Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(C=C(C2=C1C(=CC=C2)CN)C(=O)C(=O)O)C

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(C=C(C2=C1C(=CC=C2)CN)C(=O)C(=O)O)C

InChI

InChI=1S/C17H20N2O5/c1-17(2,3)24-16(23)19(4)9-12(14(20)15(21)22)11-7-5-6-10(8-18)13(11)19/h5-7,9H,8,18H2,1-4H3/p+1