3-[(E)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-(phenylmethyl)amino]prop-1-enyl]benzenecarboximidamide trihydrochloride

Systemtic Name: 3-[(E)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-(phenylmethyl)amino]prop-1-enyl]benzenecarboximidamide trihydrochloride Openeye Name: 3-[(E)-3-[N-benzyl-4-[(1-ethanimidoyl-4-piperidyl)oxy]anilino]prop-1-enyl]benzamidine trihydrochloride CAS Name: 3-[(E)-3-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-N-(phenylmethyl)anilino]prop-1-enyl]benzenecarboximidamide trihydrochloride IUPAC Name: 3-[(E)-3-[N-benzyl-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]prop-1-enyl]benzenecarboximidamide trihydrochloride Traditional Name: 3-[(E)-3-[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-benzyl-anilino]prop-1-enyl]benzamidine trihydrochloride Formula: C30H38Cl3N5O MolecularWeight: 591.01462

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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)CC4=CC=CC=C4.Cl.Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(C/C=C/C3=CC(=CC=C3)C(=N)N)CC4=CC=CC=C4.Cl.Cl.Cl

InChI

InChI=1S/C30H35N5O.3ClH/c1-23(31)34-19-16-29(17-20-34)36-28-14-12-27(13-15-28)35(22-25-7-3-2-4-8-25)18-6-10-24-9-5-11-26(21-24)30(32)33;;;/h2-15,21,29,31H,16-20,22H2,1H3,(H3,32,33);3*1H/b10-6+,31-23?;;;