[(4-carbamimidoylphenyl)amino]-(carboxymethylsulfonyl)-ethyl-(3-methoxy-4-phenylmethoxy-phenyl)azanium

Systemtic Name: [(4-carbamimidoylphenyl)amino]-(carboxymethylsulfonyl)-ethyl-(3-methoxy-4-phenylmethoxy-phenyl)azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-(4-carbamimidoylanilino)-(carboxymethylsulfonyl)-ethyl-ammonium CAS Name: (4-carbamimidoylanilino)-(carboxymethylsulfonyl)-ethyl-(3-methoxy-4-phenylmethoxyphenyl)ammonium IUPAC Name: (4-carbamimidoylanilino)-(carboxymethylsulfonyl)-ethyl-(3-methoxy-4-phenylmethoxyphenyl)azanium Traditional Name: (4-amidinoanilino)-(4-benzoxy-3-methoxy-phenyl)-(carboxymethylsulfonyl)-ethyl-ammonium Formula: C25H29N4O6S+ MolecularWeight: 513.58596

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)(NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC[N+](C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)(NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C25H28N4O6S/c1-3-29(36(32,33)17-24(30)31,28-20-11-9-19(10-12-20)25(26)27)21-13-14-22(23(15-21)34-2)35-16-18-7-5-4-6-8-18/h4-15H,3,16-17H2,1-2H3,(H4-,26,27,28,30,31)/p+1