azanylidene-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]imino-azanium

Systemtic Name: azanylidene-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]imino-azanium Openeye Name: [3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propyl]imino-imino-ammonium CAS Name: imino-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propyl]iminoammonium IUPAC Name: imino-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]iminoazanium Traditional Name: [3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propyl]imino-imino-ammonium Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CN=[N+]=N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CN=[N+]=N

InChI

InChI=1S/C21H26N4O3/c1-21(2,3)28-20(26)24-18(14-23-25-22)13-16-9-11-19(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,18,22H,13-15H2,1-3H3/p+1