ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-(1-methylquinolin-1-ium-3-yl)propanoate

Systemtic Name: ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-(1-methylquinolin-1-ium-3-yl)propanoate Openeye Name: ethyl 2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(1-methylquinolin-1-ium-3-yl)propanoate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-(1-methyl-3-quinolin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-(1-methylquinolin-1-ium-3-yl)propanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(1-methylquinolin-1-ium-3-yl)propionic acid ethyl ester Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=CC=CC=C2[N+](=C1)C)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=CC=CC=C2[N+](=C1)C)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O5/c1-6-29-20(27)17(24-19(26)13-23-21(28)30-22(2,3)4)12-15-11-16-9-7-8-10-18(16)25(5)14-15/h7-11,14,17H,6,12-13H2,1-5H3,(H-,23,24,26,28)/p+1