(4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]-2-methyl-prop-2-enoate hydrochloride

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]-2-methyl-prop-2-enoate hydrochloride Openeye Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]-2-methyl-prop-2-enoate hydrochloride CAS Name: (E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methyl-2-propenoic acid (4-carbamimidoylphenyl) ester hydrochloride IUPAC Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoate hydrochloride Traditional Name: (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]-2-methyl-acrylic acid (4-amidinophenyl) ester hydrochloride Formula: C21H26ClN3O3 MolecularWeight: 403.90244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C)C(=O)OC2=CC=C(C=C2)C(=N)N)O.Cl

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)/C=C(\C)/C(=O)OC2=CC=C(C=C2)C(=N)N)O.Cl

InChI

InChI=1S/C21H25N3O3.ClH/c1-4-24(5-2)17-9-6-16(19(25)13-17)12-14(3)21(26)27-18-10-7-15(8-11-18)20(22)23;/h6-13,25H,4-5H2,1-3H3,(H3,22,23);1H/b14-12+;