carbamimidoyl-[2,6-diethoxy-3,4-bis(phenylmethoxy)phenyl]-methanoyl-methyl-azanium

Systemtic Name: carbamimidoyl-[2,6-diethoxy-3,4-bis(phenylmethoxy)phenyl]-methanoyl-methyl-azanium Openeye Name: carbamimidoyl-(3,4-dibenzyloxy-2,6-diethoxy-phenyl)-formyl-methyl-ammonium CAS Name: carbamimidoyl-[2,6-diethoxy-3,4-bis(phenylmethoxy)phenyl]-formyl-methylammonium IUPAC Name: carbamimidoyl-[2,6-diethoxy-3,4-bis(phenylmethoxy)phenyl]-formyl-methylazanium Traditional Name: amidino-(3,4-dibenzoxy-2,6-diethoxy-phenyl)-formyl-methyl-ammonium Formula: C27H32N3O5+ MolecularWeight: 478.56008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1[N+](C)(C=O)C(=N)N)OCC)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C(=C1[N+](C)(C=O)C(=N)N)OCC)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32N3O5/c1-4-32-22-16-23(34-17-20-12-8-6-9-13-20)25(35-18-21-14-10-7-11-15-21)26(33-5-2)24(22)30(3,19-31)27(28)29/h6-16,19H,4-5,17-18H2,1-3H3,(H3,28,29)/q+1