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

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(2-methylprop-2-enylamino)-(4-propan-2-yloxyphenyl)azanium hydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropoxyphenyl)-(2-methylallylamino)ammonium hydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(2-methylprop-2-enylamino)-(4-propan-2-yloxyphenyl)ammonium hydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(2-methylprop-2-enylamino)-(4-propan-2-yloxyphenyl)azanium hydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(4-isopropoxyphenyl)-(2-methylallylamino)ammonium hydrochloride Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC(=C)C.Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C(=N)N)(C(=O)C)NCC(=C)C.Cl

InChI

InChI=1S/C22H29N4O2.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;/h6-13,16,25H,1,14H2,2-5H3,(H3,23,24);1H/q+1;