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

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[(3-phenylmethoxyphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-[(3-benzyloxyphenyl)methylamino]-(3-carbamimidoylphenyl)-(4-isopropoxyphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[(3-phenylmethoxyphenyl)methylamino]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(3-phenylmethoxyphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[(3-benzoxybenzyl)amino]-(4-isopropoxyphenyl)ammonium Formula: C32H35N4O3+ MolecularWeight: 523.6453

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C32H35N4O3/c1-23(2)39-30-17-15-28(16-18-30)36(24(3)37,29-13-8-12-27(20-29)32(33)34)35-21-26-11-7-14-31(19-26)38-22-25-9-5-4-6-10-25/h4-20,23,35H,21-22H2,1-3H3,(H3,33,34)/q+1