carbamimidoyl-[2-chloranyl-6-methoxy-3,4,5-tris(phenylmethoxy)phenyl]-methanoyl-methyl-azanium

Systemtic Name: carbamimidoyl-[2-chloranyl-6-methoxy-3,4,5-tris(phenylmethoxy)phenyl]-methanoyl-methyl-azanium Openeye Name: carbamimidoyl-formyl-methyl-(3,4,5-tribenzyloxy-2-chloro-6-methoxy-phenyl)ammonium CAS Name: carbamimidoyl-[2-chloro-6-methoxy-3,4,5-tris(phenylmethoxy)phenyl]-formyl-methylammonium IUPAC Name: carbamimidoyl-[2-chloro-6-methoxy-3,4,5-tris(phenylmethoxy)phenyl]-formyl-methylazanium Traditional Name: amidino-formyl-methyl-(3,4,5-tribenzoxy-2-chloro-6-methoxy-phenyl)ammonium Formula: C31H31ClN3O5+ MolecularWeight: 561.04794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C=O)(C1=C(C(=C(C(=C1Cl)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)C(=N)N

Isomeric SMILES

C[N+](C=O)(C1=C(C(=C(C(=C1Cl)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)C(=N)N

InChI

InChI=1S/C31H31ClN3O5/c1-35(21-36,31(33)34)26-25(32)27(38-18-22-12-6-3-7-13-22)29(39-19-23-14-8-4-9-15-23)30(28(26)37-2)40-20-24-16-10-5-11-17-24/h3-17,21H,18-20H2,1-2H3,(H3,33,34)/q+1