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

Systemtic Name: 1-[(Z)-3-chloranyl-4-phenyl-but-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride Openeye Name: 1-[(Z)-3-chloro-4-phenyl-but-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride CAS Name: 1-[(Z)-3-chloro-4-phenylbut-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride IUPAC Name: 1-[(Z)-3-chloro-4-phenylbut-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride Traditional Name: 1-[(Z)-3-chloro-4-phenyl-but-2-enyl]-1-[(E)-4-phenylbut-2-enyl]piperidin-1-ium chloride Formula: C25H31Cl2N MolecularWeight: 416.42634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC=CCC2=CC=CC=C2)CC=C(CC3=CC=CC=C3)Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN.ClH/c26-25(22-24-15-6-2-7-16-24)17-21-27(18-9-3-10-19-27)20-11-8-14-23-12-4-1-5-13-23;/h1-2,4-8,11-13,15-17H,3,9-10,14,18-22H2;1H/q+1;/p-1/b11-8+,25-17-;