(diphenylmethyl)-[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: (diphenylmethyl)-[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]azanium chloride Openeye Name: benzhydryl-[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxy-propyl]ammonium chloride CAS Name: (diphenylmethyl)-[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxypropyl]ammonium chloride IUPAC Name: benzhydryl-[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxypropyl]azanium chloride Traditional Name: benzhydryl-[3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-2-hydroxy-propyl]ammonium chloride Formula: C27H32ClNO3 MolecularWeight: 454.00088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC)OCC(C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C)OCC(C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C27H31NO3.ClH/c1-3-11-21-16-17-25(30-4-2)26(18-21)31-20-24(29)19-28-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23;/h3,5-18,24,27-29H,4,19-20H2,1-2H3;1H/b11-3+;