(3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-yloxyphenyl)-(propylamino)azanium dihydrochloride

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(4-propan-2-yloxyphenyl)-(propylamino)azanium dihydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropoxyphenyl)-(propylamino)ammonium dihydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(4-propan-2-yloxyphenyl)-(propylamino)ammonium dihydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(4-propan-2-yloxyphenyl)-(propylamino)azanium dihydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(4-isopropoxyphenyl)-(propylamino)ammonium dihydrochloride Formula: C21H31Cl2N4O2+ MolecularWeight: 442.40244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N4O2.2ClH/c1-5-13-24-25(16(4)26,19-8-6-7-17(14-19)21(22)23)18-9-11-20(12-10-18)27-15(2)3;;/h6-12,14-15,24H,5,13H2,1-4H3,(H3,22,23);2*1H/q+1;;