[4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-2H-indol-1-ium-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-2H-indol-1-ium-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[[[5-benzyloxy-1-[(3-carbamimidoylphenyl)methyl]-2H-indol-1-ium-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-2H-indol-1-ium-2-yl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-2H-indol-1-ium-2-carbonyl]amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[[[1-(3-amidinobenzyl)-5-benzoxy-2H-indol-1-ium-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium Formula: C34H37N5O2+2 MolecularWeight: 547.68988

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2C=C3C=C(C=CC3=[N+]2CC4=CC=CC(=C4)C(=N)N)OCC5=CC=CC=C5

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CNC(=O)C2C=C3C=C(C=CC3=[N+]2CC4=CC=CC(=C4)C(=N)N)OCC5=CC=CC=C5

InChI

InChI=1S/C34H36N5O2/c1-39(2,3)29-14-12-24(13-15-29)21-37-34(40)32-20-28-19-30(41-23-25-8-5-4-6-9-25)16-17-31(28)38(32)22-26-10-7-11-27(18-26)33(35)36/h4-20,32H,21-23H2,1-3H3,(H3-,35,36,37,40)/q+1/p+1