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

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methylamino]-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropylphenyl)-[[3-(2-methoxy-2-oxo-ethoxy)phenyl]methylamino]ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[[3-(2-methoxy-2-oxoethoxy)phenyl]methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[[3-(2-methoxy-2-oxoethoxy)phenyl]methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[[3-(2-keto-2-methoxy-ethoxy)benzyl]amino]-p-cumenyl-ammonium Formula: C28H33N4O4+ MolecularWeight: 489.58602

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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)OC

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)OC

InChI

InChI=1S/C28H33N4O4/c1-19(2)22-11-13-24(14-12-22)32(20(3)33,25-9-6-8-23(16-25)28(29)30)31-17-21-7-5-10-26(15-21)36-18-27(34)35-4/h5-16,19,31H,17-18H2,1-4H3,(H3,29,30)/q+1