(3-carbamimidoylphenyl)-ethanoyl-[(3-hydroxyphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[(3-hydroxyphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-[(3-hydroxyphenyl)methylamino]-(4-isopropoxyphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[(3-hydroxyphenyl)methylamino]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(3-hydroxyphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[(3-hydroxybenzyl)amino]-(4-isopropoxyphenyl)ammonium Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)O

InChI

InChI=1S/C25H28N4O3/c1-17(2)32-24-12-10-21(11-13-24)29(18(3)30,22-8-5-7-20(15-22)25(26)27)28-16-19-6-4-9-23(31)14-19/h4-15,17,28H,16H2,1-3H3,(H3-,26,27,31)/p+1