(3-carbamimidoylphenyl)-ethanoyl-(2-methylpropylamino)-(4-propan-2-yloxyphenyl)azanium hydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(2-methylpropylamino)-(4-propan-2-yloxyphenyl)azanium hydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(isobutylamino)-(4-isopropoxyphenyl)ammonium hydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(2-methylpropylamino)-(4-propan-2-yloxyphenyl)ammonium hydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(2-methylpropylamino)-(4-propan-2-yloxyphenyl)azanium hydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(isobutylamino)-(4-isopropoxyphenyl)ammonium hydrochloride Formula: C22H32ClN4O2+ MolecularWeight: 419.96808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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