(3-carbamimidoylphenyl)-ethanoyl-[[1-(2-methoxy-2-oxidanylidene-ethyl)imidazol-4-yl]methylamino]-(4-propan-2-ylphenyl)azanium

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-[[1-(2-methoxy-2-oxidanylidene-ethyl)imidazol-4-yl]methylamino]-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropylphenyl)-[[1-(2-methoxy-2-oxo-ethyl)imidazol-4-yl]methylamino]ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[[1-(2-methoxy-2-oxoethyl)-4-imidazolyl]methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[[1-(2-methoxy-2-oxoethyl)imidazol-4-yl]methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[[1-(2-keto-2-methoxy-ethyl)imidazol-4-yl]methylamino]-p-cumenyl-ammonium Formula: C25H31N6O3+ MolecularWeight: 463.55204

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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=CN(C=N3)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CN(C=N3)CC(=O)OC

InChI

InChI=1S/C25H31N6O3/c1-17(2)19-8-10-22(11-9-19)31(18(3)32,23-7-5-6-20(12-23)25(26)27)29-13-21-14-30(16-28-21)15-24(33)34-4/h5-12,14,16-17,29H,13,15H2,1-4H3,(H3,26,27)/q+1