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

Systemtic Name: (3-carbamimidoylphenyl)-ethanoyl-(3-methylbut-2-enylamino)-(4-propan-2-yloxyphenyl)azanium hydrochloride Openeye Name: acetyl-(3-carbamimidoylphenyl)-(4-isopropoxyphenyl)-(3-methylbut-2-enylamino)ammonium hydrochloride CAS Name: acetyl-(3-carbamimidoylphenyl)-(3-methylbut-2-enylamino)-(4-propan-2-yloxyphenyl)ammonium hydrochloride IUPAC Name: acetyl-(3-carbamimidoylphenyl)-(3-methylbut-2-enylamino)-(4-propan-2-yloxyphenyl)azanium hydrochloride Traditional Name: acetyl-(3-amidinophenyl)-(4-isopropoxyphenyl)-(3-methylbut-2-enylamino)ammonium hydrochloride Formula: C23H32ClN4O2+ MolecularWeight: 431.97878

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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)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)C.Cl

InChI

InChI=1S/C23H31N4O2.ClH/c1-16(2)13-14-26-27(18(5)28,21-8-6-7-19(15-21)23(24)25)20-9-11-22(12-10-20)29-17(3)4;/h6-13,15,17,26H,14H2,1-5H3,(H3,24,25);1H/q+1;