(3-carbamimidoylphenyl)-ethanoyl-(4-oxidanylbutylamino)-(4-propan-2-ylphenyl)azanium hydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(4-oxidanylbutylamino)-(4-propan-2-ylphenyl)azanium hydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-hydroxybutylamino)-(4-isopropylphenyl)ammonium hydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(4-hydroxybutylamino)-(4-propan-2-ylphenyl)ammonium hydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(4-hydroxybutylamino)-(4-propan-2-ylphenyl)azanium hydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(4-hydroxybutylamino)-p-cumenyl-ammonium hydrochloride Formula: C22H32ClN4O2+ MolecularWeight: 419.96808

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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)NCCCCO.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCCCCO.Cl

InChI

InChI=1S/C22H31N4O2.ClH/c1-16(2)18-9-11-20(12-10-18)26(17(3)28,25-13-4-5-14-27)21-8-6-7-19(15-21)22(23)24;/h6-12,15-16,25,27H,4-5,13-14H2,1-3H3,(H3,23,24);1H/q+1;