[N'-[1-oxidanylidene-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]carbamimidoyl]azanium

Systemtic Name: [N'-[1-oxidanylidene-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]carbamimidoyl]azanium Openeye Name: [N'-[1-benzyl-2-[8-(4-benzyloxyphenoxy)octylamino]-2-oxo-ethyl]carbamimidoyl]ammonium CAS Name: [amino-[1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]iminomethyl]ammonium IUPAC Name: [N'-[1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]carbamimidoyl]azanium Traditional Name: [N'-[2-[8-(4-benzoxyphenoxy)octylamino]-1-benzyl-2-keto-ethyl]amidino]ammonium Formula: C31H41N4O3+ MolecularWeight: 517.68224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3)N=C([NH3+])N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3)N=C([NH3+])N

InChI

InChI=1S/C31H40N4O3/c32-31(33)35-29(23-25-13-7-5-8-14-25)30(36)34-21-11-3-1-2-4-12-22-37-27-17-19-28(20-18-27)38-24-26-15-9-6-10-16-26/h5-10,13-20,29H,1-4,11-12,21-24H2,(H,34,36)(H4,32,33,35)/p+1