4-(4-bromophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-bromophenyl)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-ol Formula: C21H25BrNO2+ MolecularWeight: 403.3327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H24BrNO2/c1-25-20-7-3-2-5-17(20)6-4-14-23-15-12-21(24,13-16-23)18-8-10-19(22)11-9-18/h2-11,24H,12-16H2,1H3/p+1/b6-4+