[[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylamino]-(3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-ylphenyl)azanium

Systemtic Name: [[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylamino]-(3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-[[3-(2-amino-2-oxo-ethoxy)phenyl]methylamino]-(3-carbamimidoylphenyl)-(4-isopropylphenyl)ammonium CAS Name: acetyl-[[3-(2-amino-2-oxoethoxy)phenyl]methylamino]-(3-carbamimidoylphenyl)-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-[[3-(2-amino-2-oxoethoxy)phenyl]methylamino]-(3-carbamimidoylphenyl)-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[[3-(2-amino-2-keto-ethoxy)benzyl]amino]-p-cumenyl-ammonium Formula: C27H32N5O3+ MolecularWeight: 474.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O3/c1-18(2)21-10-12-23(13-11-21)32(19(3)33,24-8-5-7-22(15-24)27(29)30)31-16-20-6-4-9-25(14-20)35-17-26(28)34/h4-15,18,31H,16-17H2,1-3H3,(H4-,28,29,30,34)/p+1