N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-oxidanyl-ethanamide dihydrochloride

Systemtic Name: N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-oxidanyl-ethanamide dihydrochloride Openeye Name: N-[(E)-3-(3-carbamimidoylphenyl)allyl]-N-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]-2-hydroxy-acetamide dihydrochloride CAS Name: N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-2-hydroxy-N-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]acetamide dihydrochloride IUPAC Name: N-[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-hydroxyacetamide dihydrochloride Traditional Name: N-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-N-[(E)-3-(3-amidinophenyl)allyl]-2-hydroxy-acetamide dihydrochloride Formula: C25H33Cl2N5O3 MolecularWeight: 522.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC=CC3=CC(=CC=C3)C(=N)N)C(=O)CO.Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(C/C=C/C3=CC(=CC=C3)C(=N)N)C(=O)CO.Cl.Cl

InChI

InChI=1S/C25H31N5O3.2ClH/c1-18(26)29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)30(24(32)17-31)13-3-5-19-4-2-6-20(16-19)25(27)28;;/h2-10,16,23,26,31H,11-15,17H2,1H3,(H3,27,28);2*1H/b5-3+,26-18?;;