(3-carbamimidoylphenyl)-[(2-chlorophenyl)methylamino]-ethanoyl-(4-propan-2-ylphenyl)azanium

Systemtic Name: (3-carbamimidoylphenyl)-[(2-chlorophenyl)methylamino]-ethanoyl-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-carbamimidoylphenyl)-[(2-chlorophenyl)methylamino]-(4-isopropylphenyl)ammonium CAS Name: acetyl-(3-carbamimidoylphenyl)-[(2-chlorophenyl)methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-carbamimidoylphenyl)-[(2-chlorophenyl)methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-amidinophenyl)-[(2-chlorobenzyl)amino]-p-cumenyl-ammonium Formula: C25H28ClN4O+ MolecularWeight: 435.96902

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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=C3Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C25H28ClN4O/c1-17(2)19-11-13-22(14-12-19)30(18(3)31,23-9-6-8-20(15-23)25(27)28)29-16-21-7-4-5-10-24(21)26/h4-15,17,29H,16H2,1-3H3,(H3,27,28)/q+1