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

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[(3-methoxycarbonylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropoxyphenyl)-[(3-methoxycarbonylphenyl)methylamino]ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[(3-methoxycarbonylphenyl)methylamino]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(3-methoxycarbonylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[(3-carbomethoxybenzyl)amino]-(4-isopropoxyphenyl)ammonium Formula: C27H31N4O4+ MolecularWeight: 475.55944

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N4O4/c1-18(2)35-25-13-11-23(12-14-25)31(19(3)32,24-10-6-8-21(16-24)26(28)29)30-17-20-7-5-9-22(15-20)27(33)34-4/h5-16,18,30H,17H2,1-4H3,(H3,28,29)/q+1