1,1-bis[(Z)-3-chloranyl-4-phenyl-but-2-enyl]piperidin-1-ium chloride

Systemtic Name: 1,1-bis[(Z)-3-chloranyl-4-phenyl-but-2-enyl]piperidin-1-ium chloride Openeye Name: 1,1-bis[(Z)-3-chloro-4-phenyl-but-2-enyl]piperidin-1-ium chloride CAS Name: 1,1-bis[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium chloride IUPAC Name: 1,1-bis[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium chloride Traditional Name: 1,1-bis[(Z)-3-chloro-4-phenyl-but-2-enyl]piperidin-1-ium chloride Formula: C25H30Cl3N MolecularWeight: 450.8714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC=C(CC2=CC=CC=C2)Cl)CC=C(CC3=CC=CC=C3)Cl.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(C/C=C(\Cl)/CC2=CC=CC=C2)C/C=C(\Cl)/CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C25H30Cl2N.ClH/c26-24(20-22-10-4-1-5-11-22)14-18-28(16-8-3-9-17-28)19-15-25(27)21-23-12-6-2-7-13-23;/h1-2,4-7,10-15H,3,8-9,16-21H2;1H/q+1;/p-1/b24-14-,25-15-;