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

Systemtic Name: 1,1-bis[(Z)-3-chloranyl-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride Openeye Name: 1,1-bis[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride CAS Name: 1,1-bis[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride IUPAC Name: 1,1-bis[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride Traditional Name: 1,1-bis[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium chloride Formula: C27H34Cl3NO2 MolecularWeight: 510.92336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=CC[N+]2(CCCCC2)CC=C(CC3=CC=C(C=C3)OC)Cl)Cl.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C/C(=C/C[N+]2(CCCCC2)C/C=C(\Cl)/CC3=CC=C(C=C3)OC)/Cl.[Cl-]

InChI

InChI=1S/C27H34Cl2NO2.ClH/c1-31-26-10-6-22(7-11-26)20-24(28)14-18-30(16-4-3-5-17-30)19-15-25(29)21-23-8-12-27(32-2)13-9-23;/h6-15H,3-5,16-21H2,1-2H3;1H/q+1;/p-1/b24-14-,25-15-;